SCHEMBL6844899

SCHEMBL6844899

COC(=O)c1ccc2c(ccn2S)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.38
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37
CFTR P13569 2/20 0.37
ABL1 P00519 1/20 0.36
MYC P01106 2/20 0.36
MEN1 O00255 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL699301 0.77 KDM4E (0.51) NR4A2KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL698065 0.76 KDM4E (0.35) NR4A2KMT2AALDH1A1KDM4EMAPT
SCHEMBL522062 0.74 CA12 (0.52) ALDH1A1GAAHSD17B10KDM4EGLA
SCHEMBL31525602 0.72 POLB (0.45) NR4A2ALDH1A1GAAHSD17B10KDM4E
SCHEMBL31692538 0.72 PDE1C (0.41) NR4A2KMT2AKDM4ENPC1CASP3
SCHEMBL382348 0.69 CES2 (0.61) KMT2AALDH1A1GAAHSD17B10KDM4E
SCHEMBL23648008 0.68 ABL1 (0.51) KMT2AALDH1A1GAAHSD17B10KDM4E
SCHEMBL13575544 0.68 ALDH1A1 (0.53) ALDH1A1GAAHSD17B10KDM4EGLA
SCHEMBL29771218 0.68 ABL1 (0.51) KMT2AALDH1A1GAAHSD17B10KDM4E
SCHEMBL25143700 0.68 NR4A2 (0.49) NR4A2KMT2AALDH1A1GAAHSD17B10

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-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 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 (2 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-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA NR4A2 4177/4885KMT2A 1573/4885ALDH1A1 364/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA NR4A2 4177/4885KMT2A 1573/4885ALDH1A1 364/4885

“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.