SCHEMBL20357236

SCHEMBL20357236

COc1ccc(OC(F)(F)F)cc1NC(=O)NC1CCC(Oc2ccnc(N3CCOCC3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 15/20 0.46
▸ GPR6 P46095 1/20 0.43
▸ FAAH O00519 6/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ AADAC P22760 1/20 0.41
▸ RAF1 P04049 1/20 0.40
▸ GRM7 Q14831 1/20 0.40
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39

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
SCHEMBL18615668 1.00 EPHX2 (0.46) EPHX2GPR6FAAHKDM4ETSHR
SCHEMBL20357376 0.92 EPHX2 (0.44) EPHX2GPR6FAAHAADACGRM7
SCHEMBL18615472 0.92 EPHX2 (0.44) EPHX2GPR6FAAHAADACGRM7
SCHEMBL20976428 0.87 GAA (0.39) GPR6KDM4ETSHRNPSR1RAF1
SCHEMBL18615642 0.87 EPHX2 (0.46) EPHX2GPR6FAAHAADACRAF1
SCHEMBL18615475 0.87 EPHX2 (0.41) EPHX2GPR6FAAHAADACRAF1
SCHEMBL20357350 0.87 EPHX2 (0.41) EPHX2GPR6FAAHAADACRAF1
SCHEMBL20357331 0.87 ALDH1A1 (0.39) GPR6KDM4ETSHRNPSR1
SCHEMBL20357238 0.87 EPHX2 (0.51) EPHX2GPR6FAAHAADACRAF1
SCHEMBL18615510 0.87 EPHX2 (0.51) EPHX2GPR6FAAHAADACRAF1

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
EP-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 — — EP disclosed
US-10280145-B2 Urea derivative and use therefor TORAY INDUSTRIES, INC. (JP) 2019-05-07 — — US disclosed
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES, INC. (JP) 2018-08-23 — — US disclosed
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 — — 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 (2 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-10280145-B2 Urea derivative and use therefor UTS2R, DDR1, WEE1 EPHX2 4826/4885GPR6 1263/4885FAAH 4492/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 EPHX2 4826/4885GPR6 1263/4885FAAH 4492/4885

“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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