SCHEMBL17877688

SCHEMBL17877688

COC(=O)c1ccc(C(CN(C)C)C(=O)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
MAPT P10636 2/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL2685869 0.88 L3MBTL1 (0.46) L3MBTL1GAATSHRALDH1A1MAPK1
SCHEMBL2684941 0.87 L3MBTL1 (0.41) L3MBTL1GAAHPGDTSHRALDH1A1
SCHEMBL6671971 0.83 ALDH1A1 (0.52) GAAALDH1A1HSD17B10ESR1ESR2
SCHEMBL4587800 0.82 L3MBTL1 (0.49) L3MBTL1GAATSHRALDH1A1ESR1
SCHEMBL6829545 0.81 MAPT (0.47) GAAHPGDTSHRALDH1A1KDM4E
SCHEMBL15075286 0.77 L3MBTL1 (0.45) L3MBTL1GAATSHRALDH1A1KDM4E
SCHEMBL5787915 0.75 MAPT (0.45) GAAHPGDTSHRALDH1A1KDM4E
SCHEMBL30992197 0.75 L3MBTL1 (0.43) L3MBTL1HPGDTSHRNPC1ESR1
SCHEMBL19986352 0.75 SLC6A3 (0.51)
SCHEMBL27119006 0.75 L3MBTL1 (0.43) L3MBTL1GAATSHRALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902728-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-02-27 US disclosed
US-9902728-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-02-27 US disclosed
US-20160185785-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2016-06-30 US disclosed
US-20160185785-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2016-06-30 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 (1 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-20160185785-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBA7, UBXN1 L3MBTL1 1217/4885GAA 1724/4885HPGD 3219/4885

“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.