SCHEMBL23345280

SCHEMBL23345280

CC(=O)Nc1cc(C(F)(F)F)cc(CO)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
GPR35 Q9HC97 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
TOP2A P11388 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KIF11 P52732 1/20 0.36
DYRK1A Q13627 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL23326539 0.78 PTPN5 (0.51) PTPN5CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL23326510 0.77 PTPN5 (0.50) PTPN5CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29861499 0.77 PTPN5 (0.50) PTPN5CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL17681595 0.72 CYP2C19 (0.65) PTPN5CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL30977684 0.71 MEN1 (0.60) PTPN5CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL12126017 0.71 MEN1 (0.60) PTPN5CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL23326784 0.71 PTPN5 (0.44) PTPN5CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29861148 0.71 PTPN5 (0.44) PTPN5CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20357414 0.70 GPR35 (0.43) CYP1A2CYP2C9CYP2C19ALDH1A1GPR35
SCHEMBL16771000 0.68 ALDH1A1 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. 2021-05-13 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-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 PTPN5 883/4885CYP1A2 2086/4885CYP2C9 3034/4885

“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.