SCHEMBL3591940

SCHEMBL3591940

COCC1(COC)C/C(=C\C(=O)Nc2cccc3c2CCS(=O)(=O)N3)c2ccc(C(F)(F)F)cc2O1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.35
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3591941 1.00 TRPV1 (0.35) TRPV1TP53MAPTSMN1; SMN2
SCHEMBL3600316 0.92 TRPV1 (0.40) TRPV1
SCHEMBL3600312 0.92 TRPV1 (0.40) TRPV1
SCHEMBL3600561 0.88 TRPV1 (0.38) TRPV1TP53SMN1; SMN2
SCHEMBL3600565 0.88 TRPV1 (0.38) TRPV1TP53SMN1; SMN2
SCHEMBL3589789 0.87 TRPV1 (0.41) TRPV1TP53MAPTSMN1; SMN2
SCHEMBL13545547 0.86 TRPV1 (0.35) TRPV1TP53MAPTSMN1; SMN2
SCHEMBL3597015 0.86 TRPV1 (0.32) TRPV1
SCHEMBL3597017 0.86 TRPV1 (0.32) TRPV1
SCHEMBL3596949 0.85 TRPV1 (0.39) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 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 (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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 TRPV1 2518/4885TP53 3619/4885MAPT 4758/4885

“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.