SCHEMBL17766752

SCHEMBL17766752

NC(=O)c1sc(C2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 9/20 0.53
▸ EPHX2 P34913 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ CACNA1C Q13936 1/20 0.49
▸ BTK Q06187 3/20 0.48
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PAX8 Q06710 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ CCR2 P41597 2/20 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
SCHEMBL17766714 0.93 TRPV1 (0.55) TRPV1EPHX2KCNH2CACNA1CLMNA
SCHEMBL17766730 0.91 TRPV1 (0.56) TRPV1EPHX2KCNH2CACNA1CLMNA
SCHEMBL17766702 0.87 TRPV1 (0.60) TRPV1EPHX2KCNH2CACNA1CLMNA
SCHEMBL19362086 0.86 DHODH (0.60) TRPV1EPHX2KCNH2CACNA1CMAPT
SCHEMBL17766740 0.85 TRPV1 (0.48) TRPV1EPHX2KCNH2CACNA1CLMNA
SCHEMBL17766784 0.85 TRPV1 (0.53) TRPV1EPHX2KCNH2CACNA1CLMNA
SCHEMBL17766770 0.85 TRPV1 (0.53) TRPV1EPHX2KCNH2CACNA1CLMNA
SCHEMBL17766728 0.85 BTK (0.52) TRPV1EPHX2KCNH2CACNA1CBTK
SCHEMBL17766698 0.85 TRPV1 (0.55) TRPV1EPHX2KCNH2CACNA1CLMNA
SCHEMBL16392266 0.85 TRPV1 (0.52) TRPV1EPHX2KCNH2CACNA1CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771357-B2 ALXR agonist compound ONO PHARMACEUTICAL CO., LTD. (JP) 2017-09-26 — — US disclosed
US-20160145249-A1 ALXR AGONIST COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2016-05-26 — — US 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-20160145249-A1 ALXR AGONIST COMPOUND MRGPRX2, MRGPRX1, MRGPRX4 TRPV1 319/4885EPHX2 231/4885KCNH2 2356/4885

“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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