SCHEMBL186517

SCHEMBL186517

COC(=O)C(C)(C)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
XBP1 P17861 1/20 0.49
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
KCNN4 O15554 4/20 0.44
BRS3 P32247 1/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 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
SCHEMBL8974321 0.89 CNR1 (0.54) SMN1; SMN2RAB9AMEN1KMT2AMAPT
SCHEMBL1625320 0.84 CNR1 (0.47) HTTCNR1CNR2KCNN4BRS3
SCHEMBL5877921 0.83 MAPT (0.50) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL5097918 0.83 MAOB (0.57) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL31612944 0.82 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL31612949 0.82 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL16795995 0.82 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL3573740 0.82 CNR1 (0.53) MAPTCNR1CNR2KCNN4BRS3
SCHEMBL11838241 0.82 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL1107149 0.82 CNR2 (0.57) RAB9ANPC1MAPTCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 US disclosed
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 US disclosed
US-20210139467-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-13 US disclosed
US-20210139467-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-13 US disclosed
EP-3645512-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-05-06 EP disclosed
CN-110785408-A Modulators of indoleamine2, 3-dioxygenase 葛兰素史克知识产权开发有限公司 2020-02-11 CN disclosed
CN-110092804-A A kind of purine compound and preparation method thereof containing bicyclic radicals 广州盈升生物科技有限公司 2019-08-06 CN disclosed
WO-2019003143-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 WO disclosed
WO-2019003143-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 WO disclosed
US-20180280422-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2018-10-04 US disclosed
US-8394819-B2 Indole derivatives as CRTH2 receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-12 US disclosed
EP-2492267-A1 Indole derivatives as CRTH2 receptor antagonists in combination with a second active ingredient Merck Sharp & Dohme Corp. (US) 2012-08-29 EP disclosed
WO-2012075381-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2012-06-07 WO disclosed
WO-2012075381-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2012-06-07 WO disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 US disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 US disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 US disclosed
EP-2401269-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-01-04 EP disclosed
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-16 US disclosed
WO-2010099039-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-09-02 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-20180280422-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 SMN1; SMN2 434/4885RAB9A 2031/4885NPC1 1157/4885
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR SMN1; SMN2 4820/4885RAB9A 3377/4885NPC1 3382/4885
US-20210139467-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 SMN1; SMN2 2957/4885RAB9A 3849/4885NPC1 984/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 SMN1; SMN2 434/4885RAB9A 2031/4885NPC1 1157/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 SMN1; SMN2 434/4885RAB9A 2031/4885NPC1 1157/4885

“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.