SCHEMBL3902602

SCHEMBL3902602

COC(=O)c1ccc(-c2ccccc2)c(OC(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.55
NOTUM Q6P988 2/20 0.52
PTGS2 P35354 1/20 0.52
PDK2 Q15119 3/20 0.50
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
IGF2BP2 Q9Y6M1 1/20 0.43
MAPT P10636 1/20 0.42
ACLY P53396 1/20 0.42
NEK1 Q96PY6 1/20 0.42

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
SCHEMBL536003 0.85 RXRA (0.50) EGFRPDK2IGF2BP2
SCHEMBL31222697 0.84 EGFR (0.61) EGFRPTGS2ROCK2ROCK1TSHR
SCHEMBL19125475 0.83 PTGS2 (0.55) EGFRNOTUMPTGS2PDK2TSHR
SCHEMBL3903631 0.80 EGFR (0.57) EGFRNOTUMPTGS2PDK2TSHR
SCHEMBL10458005 0.79 PTGS2 (0.76) EGFRPTGS2PDK2TSHRMEN1
SCHEMBL25852929 0.78 RPS6KB1 (0.45) EGFRNOTUMPTGS2PDK2ROCK2
SCHEMBL10321468 0.78 CA12 (0.59) NOTUMMRGPRX4MEN1KMT2AMAPT
SCHEMBL30702670 0.78 EGFR (0.61) EGFRPTGS2PDK2TSHRMEN1
SCHEMBL1110800 0.78 NOTUM (0.58) NOTUMPDK2MRGPRX4MEN1KMT2A
SCHEMBL28362220 0.78 RXRA (0.48) EGFRPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 EGFR 927/4885NOTUM 2224/4885PTGS2 1208/4885

“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.