SCHEMBL670503

SCHEMBL670503

COC(=O)c1ccc2c(c1)C(=O)CC(C)(C)O2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
KDM4E B2RXH2 14/20 0.56
ALDH1A1 P00352 14/20 0.56
GAA P10253 11/20 0.56
HPGD P15428 9/20 0.56
GLA P06280 7/20 0.56
CASP1 P29466 4/20 0.56
HSD17B10 Q99714 4/20 0.56
CASP7 P55210 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 1/20 0.53
NPC1 O15118 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
ALOX5 P09917 1/20 0.43

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
SCHEMBL3353464 0.85 MAPT (0.68) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL669869 0.85 RAB9A (0.44) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL13481991 0.84 MAPT (0.66) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL6650226 0.83 MAPT (0.64) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL12365964 0.83 KDM4E (0.61) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL15947259 0.81 MAPT (0.47) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL4263503 0.80 HDAC3 (0.58) KDM4EALDH1A1HPGDKMT2A
SCHEMBL17385845 0.80 MAPT (0.50) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL17429685 0.80 SMN1; SMN2 (0.43) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL17386353 0.80 MAPT (0.45) MAPTKDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
EP-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
EP-2571356-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 WO disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 US disclosed
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 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 (3 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E MAPT 463/4885KDM4E 1455/4885ALDH1A1 934/4885
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS SSTR5, SSTR2, SSTR4 MAPT 4043/4885KDM4E 4514/4885ALDH1A1 1467/4885
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 MAPT 3389/4885KDM4E 4624/4885ALDH1A1 1103/4885

“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.