SCHEMBL17877672

SCHEMBL17877672

CC(=O)CC(CF)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.47
GABBR1 Q9UBS5 1/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
CYP2C9 P11712 4/20 0.43
KMT2A Q03164 2/20 0.43
ALB P02768 1/20 0.43
PCSK7 Q16549 1/20 0.43
HSD17B10 Q99714 1/20 0.43
VKORC1 Q9BQB6 1/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13559962 0.88 GABBR2 (0.53) GABBR2GABBR1ALDH1A1KDM4EMAPT
SCHEMBL17869032 0.84 GABBR2 (0.66) GABBR2GABBR1ALDH1A1KDM4EMAPT
SCHEMBL4445085 0.82 GABBR2 (0.48) GABBR2GABBR1ALDH1A1KDM4EMAPT
SCHEMBL1500385 0.82 GABBR2 (0.48) GABBR2GABBR1ALDH1A1KDM4EMAPT
SCHEMBL9857550 0.82 GABBR2 (0.63) GABBR2GABBR1ALDH1A1KDM4EMAPT
SCHEMBL28273232 0.80 ALDH1A1 (0.56) GABBR2GABBR1ALDH1A1MAPTKMT2A
SCHEMBL11542680 0.79 MTNR1A (0.63) GABBR2GABBR1ALDH1A1MTNR1AMTNR1B
SCHEMBL16588649 0.79 ALDH1A1 (0.59) GABBR2GABBR1ALDH1A1KDM4EMAPT
SCHEMBL12771096 0.78 GABBR2 (0.44) GABBR2GABBR1ALDH1A1KDM4EMAPT
SCHEMBL22607275 0.78 L3MBTL1 (0.69) GABBR2GABBR1ALDH1A1KDM4EMAPT

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 2 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-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 GABBR2 4120/4885GABBR1 4165/4885ALDH1A1 2705/4885

“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.