SCHEMBL92987

SCHEMBL92987

CCCCOc1c(C)ncc(C(=O)OC)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 6/20 0.41
CCNE1 P24864 6/20 0.41
CDK2 P24941 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
ESR1 P03372 2/20 0.39
PLA2G2A P14555 2/20 0.39
CCNB2 O95067 2/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNB3 Q8WWL7 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13039505 0.84 CCNE2 (0.40) CCNE2CCNE1CDK2SMN1; SMN2KDM4E
SCHEMBL92981 0.82 CCNE2 (0.39) CCNE2CCNE1CDK2SMN1; SMN2KDM4E
SCHEMBL17934268 0.82 CCNE2 (0.39) CCNE2CCNE1CDK2SMN1; SMN2KDM4E
SCHEMBL79942 0.77 HPGD (0.56) CCNE2CCNE1CDK2SMN1; SMN2KDM4E
SCHEMBL4762107 0.75 NPC1 (0.47) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL17934381 0.75 L3MBTL1 (0.44) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL12697311 0.75 CYP1A2 (0.51) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL92985 0.74 THRA (0.42) CCNE2CCNE1CDK2SMN1; SMN2KDM4E
SCHEMBL7095147 0.72 CYP1A2 (0.56) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL754676 0.72 KDM4E (0.41) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334858-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR HETERO RESEARCH FOUNDATION (IN) 2017-11-23 US disclosed
US-20170267693-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-21 US disclosed
US-20170260203-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-14 US disclosed
US-20170253616-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-07 US disclosed
US-20170224694-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-08-10 US disclosed
US-20170224695-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-08-10 US disclosed
US-20170209454-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-07-27 US disclosed
EP-3187225-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV Healthcare Company (US) 2017-07-05 EP disclosed
EP-3187226-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV Healthcare Company (US) 2017-07-05 EP disclosed
US-20170145033-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-05-25 US disclosed
EP-2465580-A1 Polycyclic carbamoylpyridone derivatives having hiv integrase inhibitory activity Glaxosmithkline LLC (US) 2012-06-20 EP disclosed
US-8188271-B2 Polycyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-05-29 US disclosed
US-20120115875-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY GLAXOSMITHKLINE LLC 2012-05-10 US disclosed
US-8129385-B2 Substituted 5-hydroxy-3,4,6,9,9a, 10-hexanhydro-2h-1-oxa04a,8a-diaza-anthracene-6,10-dioness SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-7858788-B2 Bicyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2010-12-28 US disclosed
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity VIIV HEALTHCARE COMPANY 2009-12-24 US disclosed
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
EP-1950212-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE Shionogi Co., Ltd. (JP) 2008-07-30 EP disclosed
US-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2008-07-03 US disclosed
EP-1852434-A1 BICYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITING ACTIVITY Shionogi Co., Ltd. (JP) 2007-11-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170145033-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 CCNE2 102/4885CCNE1 71/4885CDK2 43/4885
US-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity NR4A1, HAT1, NR4A2 CCNE2 70/4885CCNE1 41/4885CDK2 20/4885
US-20170209454-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 CCNE2 102/4885CCNE1 71/4885CDK2 43/4885
US-20170334858-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR CYP3A4, DHPS, MVD CCNE2 1765/4885CCNE1 773/4885CDK2 240/4885
US-20120115875-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 CCNE2 101/4885CCNE1 70/4885CDK2 43/4885
US-20170260203-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 CCNE2 102/4885CCNE1 71/4885CDK2 43/4885
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity CDK20, CYP4A22, CDK10 CCNE2 171/4885CCNE1 71/4885CDK2 10/4885
US-20170224694-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 CCNE2 102/4885CCNE1 71/4885CDK2 43/4885
US-20170253616-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 CCNE2 101/4885CCNE1 69/4885CDK2 43/4885
US-20170224695-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NCOA4, NR4A1, NR4A2 CCNE2 125/4885CCNE1 84/4885CDK2 47/4885
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity NR4A1, NCOA4, NR4A2 CCNE2 101/4885CCNE1 70/4885CDK2 43/4885
US-20170267693-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 CCNE2 102/4885CCNE1 71/4885CDK2 43/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.