SCHEMBL21391851

SCHEMBL21391851

O=C(CCc1cc(Cl)cc(Cl)c1)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.55
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
HTRA1 Q92743 2/20 0.54
CTSG P08311 2/20 0.52
CMA1 P23946 2/20 0.52
FPR2 P25090 1/20 0.52
PIN1 Q13526 1/20 0.52
NAALAD2 Q9Y3Q0 1/20 0.51
CCKBR P32239 3/20 0.50
MME P08473 1/20 0.50
GPR34 Q9UPC5 1/20 0.49

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
SCHEMBL18228818 1.00 ACE (0.55) ACEITGB3ITGA2BHTRA1CTSG
SCHEMBL18228830 0.90 ACE (0.54) ACEITGB3ITGA2BCTSGCMA1
SCHEMBL18228922 0.90 ACE (0.54) ACEITGB3ITGA2BCTSGCMA1
SCHEMBL4153095 0.88 ITGB3 (0.65) ACEITGB3ITGA2BCTSGCMA1
SCHEMBL4153101 0.88 ITGB3 (0.65) ACEITGB3ITGA2BCTSGCMA1
SCHEMBL5458748 0.88 ITGB3 (0.65) ACEITGB3ITGA2BCTSGCMA1
SCHEMBL18228675 0.84 FPR2 (0.63) ACEITGB3ITGA2BCTSGCMA1
SCHEMBL21391858 0.84 FPR2 (0.63) ACEITGB3ITGA2BCTSGCMA1
SCHEMBL31006620 0.84 GPR34 (0.61) ACEITGB3ITGA2BMMEGPR34
SCHEMBL9440322 0.83 ITGB3 (0.61) ACEITGB3ITGA2BCTSGCMA1

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
CN-107531653-B Novel difluoroketoamide derivatives 豪夫迈·罗氏有限公司 2021-10-19 CN disclosed
EP-3294718-B1 NEW DIFLUOROKETAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-29 EP 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 ACE 1622/4885ITGB3 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.