SCHEMBL17766728

SCHEMBL17766728

O=C(O)c1sc(C2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.52
▸ TRPV1 Q8NER1 4/20 0.49
▸ PDGFRB P09619 1/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ CACNA1C Q13936 1/20 0.46
▸ FAAH O00519 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 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
SCHEMBL17766714 0.92 TRPV1 (0.55) TRPV1EPHX2KCNH2CACNA1CFAAH
SCHEMBL19362085 0.90 DHODH (0.53) BTKTRPV1PDGFRBEPHX2KCNH2
SCHEMBL17766740 0.89 TRPV1 (0.48) TRPV1EPHX2KCNH2CACNA1CLMNA
SCHEMBL17766721 0.89 BTK (0.49) BTKTRPV1PDGFRBEPHX2KCNH2
SCHEMBL17766752 0.85 TRPV1 (0.53) BTKTRPV1EPHX2KCNH2CACNA1C
SCHEMBL17766730 0.85 TRPV1 (0.56) TRPV1EPHX2KCNH2CACNA1CFAAH
SCHEMBL17766774 0.84 HPGDS (0.51) TRPV1EPHX2KCNH2CACNA1CLMNA
SCHEMBL17766781 0.84 TRPV1 (0.52) TRPV1EPHX2KCNH2CACNA1CFAAH
SCHEMBL17766772 0.84 TRPV1 (0.51) TRPV1EPHX2KCNH2CACNA1CFAAH
SCHEMBL19362086 0.83 DHODH (0.60) TRPV1EPHX2KCNH2CACNA1CMAPT

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 BTK 3418/4885TRPV1 319/4885PDGFRB 2444/4885

“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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