Sugi Predict

Sugi Predict / Compounds / SCHEMBL2527064

SCHEMBL2527064

SCHEMBL2527064

CC(C)(C)OC(=O)NCc1ccc(F)cc1C(=O)NC1CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.47
▸ PBK Q96KB5 1/20 0.44
▸ PTGES O14684 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ KCNA5 P22460 1/20 0.41
▸ CNR1 P21554 4/20 0.40
▸ CNR2 P34972 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TAS1R2 Q8TE23 1/20 0.39
▸ ACACB O00763 1/20 0.39
▸ ACACA Q13085 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ NTRK1 P04629 1/20 0.39

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
SCHEMBL23980143 0.92 SSTR4 (0.46) PTGESSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL2522396 0.84 KCNA5 (0.42) KCNA5
SCHEMBL7257857 0.84 KCNA5 (0.47) HPGDKCNA5ALDH1A1
SCHEMBL4770917 0.83 KCNA5 (0.44) LMNAKCNA5ACACBACACA
SCHEMBL31258456 0.83 LMNA (0.52) SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL4769004 0.82 KCNA5 (0.46) KCNA5ALDH1A1
SCHEMBL1654700 0.82 KDM4A (0.42) KCNA5
SCHEMBL4763233 0.82 GRM2 (0.48) LMNAKCNA5JAK2
SCHEMBL5315381 0.82 HPGD (0.55) HPGDSMN1; SMN2LMNAHTTCNR1
SCHEMBL4762143 0.81 KDM4A (0.41) KCNA5

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101360752-B Hiv integrase inhibitors BRISTOL MYERS SQUIBB CO 2012-09-05 — — CN disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 — — US disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 — — EP disclosed
US-7511037-B2 N-[[4-fluoro-2-(5-methy-1H-1,2,4-triazol-1-yl)phenyl]methyl]-4-,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-31 — — US disclosed
US-7491819-B1 N-[4-Fluorophenyl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-17 — — US disclosed
CN-101360752-A HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-02-04 — — CN disclosed
EP-1749011-B1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-29 — — EP disclosed
WO-2007064316-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-07 — — WO disclosed
US-20070129379-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 — — US disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 — — US disclosed
US-7176196-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 — — US disclosed
EP-1749011-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-07 — — EP disclosed
US-7157447-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 — — US disclosed
US-20060276466-A1 Bicyclic heterocycles as HIV integrase inhibitors NAIDU B N 2006-12-07 — — US disclosed
US-20060199956-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-07 — — US disclosed
WO-2005118593-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 — — WO disclosed
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 — — US disclosed
WO-2003077857-A2 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2003-09-25 — — WO 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 (5 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-20070129379-A1 HIV INTEGRASE INHIBITORS TYMP, POLN, IMPDH1 HPGD 712/4885PBK 1460/4885PTGES 2345/4885
US-20060199956-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 HPGD 212/4885PBK 1407/4885PTGES 2370/4885
US-20070111984-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 HPGD 712/4885PBK 1460/4885PTGES 2345/4885
US-20060276466-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 HPGD 212/4885PBK 1407/4885PTGES 2370/4885
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 HPGD 212/4885PBK 1407/4885PTGES 2370/4885

“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.