SCHEMBL4336961

SCHEMBL4336961

COC(=O)c1ccc2c(c1)OCCC2O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.54
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL28332237 1.00 MAP3K14 (0.54) MAP3K14NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4336968 1.00 MAP3K14 (0.54) MAP3K14NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29653966 0.89 NPC1 (0.45) MAP3K14NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29446210 0.89 NPC1 (0.45) MAP3K14NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL22978664 0.89 NPC1 (0.45) MAP3K14NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL22978663 0.89 NPC1 (0.45) MAP3K14NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL16499755 0.85 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL785717 0.84 KDM4E (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL785716 0.84 KDM4E (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL27984676 0.84 KDM4E (0.42) MAP3K14NPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018030550-A1 HETEROCYCLIC COMPOUNDS WITH AN ROR(GAMMA)T MODULATING ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-15 WO disclosed
CN-104045632-B Antineoplastic benzodihydropyran (thiapyran) amides compound and pharmaceutically acceptable salt thereof and preparation method and application 辽宁大学 2016-09-07 CN disclosed
CN-104045632-A Antitumor drugs benzodihydropyran(thiapyran)amide compounds and pharmaceutically acceptable salts, and preparation method and application thereof UNIV LIAONING 2014-09-17 CN disclosed
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction AMGEN INC. 2008-10-09 US disclosed
US-7414134-B2 B1 bradykinin receptor antagonists AMGEN INC. (US) 2008-08-19 US disclosed
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-20060100213-A1 Triazoles and methods of use AMGEN INC. (US) 2006-05-11 US disclosed
US-20060100216-A1 Novel B1 bradykinin receptor antagonists AMGEN INC. (US) 2006-05-11 US disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
CN-1198804-C Amide compounds and use thereof MITSUBISHI SEIYAKU CO LTD (JP) 2005-04-27 CN disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
CN-1418194-A Amide compounds and use thereof MITSUBISHI SEIYAKU CO LTD (JP) 2003-05-14 CN disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 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 (4 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-20060100213-A1 Triazoles and methods of use CYP3A5, CYP3A43, CYP2E1 MAP3K14 989/4885NPC1 734/4885RAB9A 3430/4885
US-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 MAP3K14 96/4885NPC1 1207/4885RAB9A 46/4885
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction BDKRB1, BDKRB2, FPR1 MAP3K14 704/4885NPC1 1392/4885RAB9A 3094/4885
US-20060100216-A1 Novel B1 bradykinin receptor antagonists BDKRB1, BDKRB2, EDNRB MAP3K14 816/4885NPC1 614/4885RAB9A 2223/4885

“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.