SCHEMBL12378076

SCHEMBL12378076

CC(C)OC(=O)C(C)NP(C)(=O)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 10/20 0.56
LMNA P02545 1/20 0.44
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ELANE P08246 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL19778357 1.00 BTN3A1 (0.56) BTN3A1LMNAHPGDMEN1KMT2A
SCHEMBL15682968 1.00 BTN3A1 (0.56) BTN3A1LMNAHPGDMEN1KMT2A
SCHEMBL15685881 1.00 BTN3A1 (0.56) BTN3A1LMNAHPGDMEN1KMT2A
SCHEMBL18512732 1.00 BTN3A1 (0.56) BTN3A1LMNAHPGDMEN1KMT2A
SCHEMBL12214044 1.00 BTN3A1 (0.56) BTN3A1LMNAHPGDMEN1KMT2A
SCHEMBL18067176 1.00 BTN3A1 (0.56) BTN3A1LMNAHPGDMEN1KMT2A
SCHEMBL13656424 0.88 BTN3A1 (0.54) BTN3A1LMNAHPGDMEN1KMT2A
SCHEMBL14643286 0.88 BTN3A1 (0.54) BTN3A1LMNAHPGDMEN1KMT2A
SCHEMBL20959996 0.88 BTN3A1 (0.54) BTN3A1LMNAHPGDMEN1KMT2A
SCHEMBL16015987 0.88 BTN3A1 (0.58) BTN3A1MEN1KMT2ANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021129827-A1 BENZO FUSED RING-BASED COMPOUND 南京明德新药研发有限公司 2021-07-01 WO disclosed
EP-2852603-B1 D-AMINO ACID COMPOUNDS FOR LIVER DISEASE IDENIX PHARMACEUTICALS LLC (US) 2021-05-12 EP disclosed
EP-3303341-B1 FUSED TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL FOR TREATING HIV INFECTION MERCK SHARP & DOHME (US) 2020-11-18 EP disclosed
EP-3285582-B1 PHOSPHATE-SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2020-11-11 EP disclosed
US-20170218007-A1 A PROCESS FOR THE PREPARATION OF NUCLEOSIDE PHOSPHORAMIDATE LUPIN LIMITED (IN) 2017-08-03 US disclosed
US-20170128454-A1 COMPOSITIONS AND METHODS FOR INHIBITING VIRAL POLYMERASE BIOCRYST PHARMACEUTICALS, INC. 2017-05-11 US disclosed
US-9580428-B2 Compositions and methods for inhibiting viral polymerase BIOCRYST PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
US-20150191472-A1 COMPOSITIONS AND METHODS FOR INHIBITING VIRAL POLYMERASE BIOCRYST PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US disclosed
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds JIN HAOLUN 2007-08-09 US disclosed
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds JIN HAOLUN 2007-08-09 US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US 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 (7 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-20070072831-A1 Integrase inhibitor compounds TYMP, CDKN1A, PAICS BTN3A1 3584/4885LMNA 905/4885HPGD 1068/4885
US-20170128454-A1 COMPOSITIONS AND METHODS FOR INHIBITING VIRAL POLYMERASE POLRMT, POLR1E, POLR1A BTN3A1 4140/4885LMNA 1230/4885HPGD 1670/4885
US-20150191472-A1 COMPOSITIONS AND METHODS FOR INHIBITING VIRAL POLYMERASE POLRMT, POLR1E, POLR1A BTN3A1 4140/4885LMNA 1230/4885HPGD 1670/4885
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds CDKL5, CDKL1, CDKL3 BTN3A1 3294/4885LMNA 1002/4885HPGD 2662/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE BTN3A1 2926/4885LMNA 2126/4885HPGD 1374/4885
US-20170218007-A1 A PROCESS FOR THE PREPARATION OF NUCLEOSIDE PHOSPHORAMIDATE SAMHD1, PNP, MTAP BTN3A1 4450/4885LMNA 3401/4885HPGD 2916/4885
US-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS BTN3A1 3196/4885LMNA 907/4885HPGD 989/4885

“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.