SCHEMBL3903631

SCHEMBL3903631

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.57
▸ NOTUM Q6P988 2/20 0.56
▸ PTGS2 P35354 1/20 0.54
▸ PDK2 Q15119 3/20 0.52
▸ S1PR1 P21453 3/20 0.50
▸ TSHR P16473 1/20 0.47
▸ P4HB P07237 1/20 0.47
▸ LDHA P00338 1/20 0.47
▸ SRD5A2 P31213 1/20 0.46
▸ AKR1C3 P42330 3/20 0.46
▸ AKR1C2 P52895 3/20 0.46
▸ CFTR P13569 1/20 0.46
▸ AKR1C4 P17516 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ADRB2 P07550 1/20 0.45
▸ GPR183 P32249 1/20 0.45
▸ APLNR P35414 1/20 0.45
▸ S1PR5 Q9H228 1/20 0.45

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
SCHEMBL10907300 0.88 NOTUM (0.66) NOTUMPDK2P4HBCFTRMEN1
SCHEMBL28669018 0.87 SRD5A2 (0.57) EGFRNOTUMPTGS2PDK2S1PR1
SCHEMBL15920972 0.86 KDM4E (0.55) EGFRNOTUMPDK2SRD5A2AKR1C3
SCHEMBL28022353 0.85 FFAR2 (0.47) EGFRNOTUMPTGS2S1PR1SRD5A2
SCHEMBL27724772 0.85 PDK2 (0.51) PDK2S1PR1SRD5A2AKR1C3AKR1C2
SCHEMBL17133900 0.83 AKR1C3 (0.60) PDK2S1PR1SRD5A2AKR1C3AKR1C2
SCHEMBL320542 0.83 NOTUM (0.54) EGFRNOTUMPDK2S1PR1P4HB
SCHEMBL27702486 0.83 AKR1C3 (0.50) PDK2S1PR1SRD5A2AKR1C3AKR1C2
SCHEMBL402398 0.83 ADH5 (0.58) PDK2S1PR1SRD5A2AKR1C3AKR1C2
SCHEMBL28192342 0.82 PLK1 (0.57) PDK2S1PR1AKR1C3AKR1C2

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 7 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
EP-1471910-A2 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS MODULATORS OF CAPSAICIN RECEPTORS NEUROGEN CORPORATION (US) 2004-11-03 — — EP disclosed
WO-2003062209-A2 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS MODULATORS OF CAPSAICIN NEUROGEN CORPORATION (US) 2003-07-31 — — WO 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.

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