SCHEMBL18615796

SCHEMBL18615796

CNc1nccc(O[C@H]2CC[C@H](NC(=O)Nc3cc(OC(F)(F)F)ccc3OC)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 18/20 0.51
▸ CCNC P24863 1/20 0.48
▸ CDK8 P49336 1/20 0.48
▸ FAAH O00519 10/20 0.47
▸ RAF1 P04049 1/20 0.45
▸ AADAC P22760 1/20 0.44

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
SCHEMBL20357456 1.00 EPHX2 (0.51) EPHX2CCNCCDK8FAAHRAF1
SCHEMBL18615742 0.90 EPHX2 (0.52) EPHX2FAAHRAF1AADAC
SCHEMBL20357260 0.90 EPHX2 (0.52) EPHX2FAAHRAF1AADAC
SCHEMBL20357255 0.90 EPHX2 (0.47) EPHX2CCNCCDK8FAAHRAF1
SCHEMBL18615500 0.90 EPHX2 (0.47) EPHX2CCNCCDK8FAAHRAF1
SCHEMBL20365409 0.86 TSHR (0.49) CCNCCDK8
SCHEMBL18615669 0.86 EPHX2 (0.52) EPHX2FAAHRAF1AADAC
SCHEMBL20357401 0.86 EPHX2 (0.52) EPHX2FAAHRAF1AADAC
SCHEMBL18615496 0.85 EPHX2 (0.51) EPHX2FAAHRAF1AADAC
SCHEMBL20357187 0.85 EPHX2 (0.51) EPHX2FAAHRAF1AADAC

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 8 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
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-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
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 — — EP disclosed
WO-2017038873-A1 UREA DERIVATIVE AND USE THEREFOR 東レ株式会社 2017-03-09 — — 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 (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 4826/4885CCNC 2587/4885CDK8 207/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 EPHX2 4826/4885CCNC 2587/4885CDK8 207/4885

“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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