SCHEMBL21391858

SCHEMBL21391858

O=C(CCc1ccc(Cl)c(Cl)c1)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.63
ITGB3 P05106 2/20 0.56
ITGA2B P08514 2/20 0.56
ACE P12821 2/20 0.53
PLAAT3 P53816 1/20 0.53
PLAAT5 Q96KN8 1/20 0.53
PLAAT2 Q9NWW9 1/20 0.53
PLAAT4 Q9UL19 1/20 0.53
CTSG P08311 2/20 0.53
CMA1 P23946 2/20 0.53
PYGL P06737 1/20 0.52
NAALAD2 Q9Y3Q0 1/20 0.52
TRPV1 Q8NER1 1/20 0.51
PIN1 Q13526 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PDPK1 O15530 1/20 0.49
PTPN2 P17706 1/20 0.48

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
SCHEMBL18228675 1.00 FPR2 (0.63) FPR2ITGB3ITGA2BACEPLAAT3
SCHEMBL21959116 0.93 FPR2 (0.56) FPR2ITGB3ITGA2BACEPLAAT3
SCHEMBL18228915 0.93 FPR2 (0.56) FPR2ITGB3ITGA2BACEPLAAT3
SCHEMBL21959498 0.92 FPR2 (0.53) FPR2ITGB3ITGA2BACEPLAAT3
SCHEMBL18228876 0.92 FPR2 (0.53) FPR2ITGB3ITGA2BACEPLAAT3
SCHEMBL21959687 0.87 KMT2A (0.56) FPR2ITGB3ITGA2BPYGLCA2
SCHEMBL18228779 0.87 KMT2A (0.56) FPR2ITGB3ITGA2BPYGLCA2
SCHEMBL4153101 0.86 ITGB3 (0.65) ITGB3ITGA2BACECTSGCMA1
SCHEMBL4153095 0.86 ITGB3 (0.65) ITGB3ITGA2BACECTSGCMA1
SCHEMBL5458748 0.86 ITGB3 (0.65) ITGB3ITGA2BACECTSGCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531653-B Novel difluoroketoamide derivatives 豪夫迈·罗氏有限公司 2021-10-19 CN disclosed
US-10428108-B2 Difluoroketamide derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-01 US disclosed
CN-107531653-A Novel difluoroketoamide derivatives 豪夫迈·罗氏有限公司 2018-01-02 CN 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-10428108-B2 Difluoroketamide derivatives PRMT9, CDK9, FLT3 FPR2 2549/4885ITGB3 2630/4885ITGA2B 2361/4885

“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.