SCHEMBL21391854

SCHEMBL21391854

O=C(CCc1ccc(Cl)c(Cl)c1)NC(C(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.52
PLAAT3 P53816 1/20 0.50
PLAAT5 Q96KN8 1/20 0.50
PLAAT2 Q9NWW9 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50
PDPK1 O15530 1/20 0.49
TRPV1 Q8NER1 2/20 0.48
HAT1 O14929 1/20 0.47
EP300 Q09472 1/20 0.47
KMT2A Q03164 3/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
FPR2 P25090 1/20 0.44
PLA2G1B P04054 1/20 0.44
POLB P06746 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
FFAR1 O14842 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 2/20 0.43

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
SCHEMBL18228901 1.00 PYGL (0.52) PYGLPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL6967539 0.83 HDAC2 (0.56) NAALAD2ALDH1A1RECQL
SCHEMBL9001368 0.82 PYGL (0.58) PYGLPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL21391858 0.82 FPR2 (0.63) PYGLPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL18228675 0.82 FPR2 (0.63) PYGLPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL21959116 0.80 FPR2 (0.56) PYGLPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL18228915 0.80 FPR2 (0.56) PYGLPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL21882747 0.79 HTRA1 (0.60)
SCHEMBL18055506 0.79 HTRA1 (0.60)
SCHEMBL18228741 0.77 HTRA1 (0.56) KMT2ANAALAD2CA1CA2POLB

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 PYGL 4762/4885PLAAT3 3563/4885PLAAT5 2394/4885

“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.