SCHEMBL3598829

SCHEMBL3598829

O=C(/C=C1\CC2(CCOCC2)Oc2cc(C(F)(F)F)ccc21)Nc1ccc2c(c1)NS(=O)(=O)CC2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 15/20 0.40
KCNH2 Q12809 3/20 0.38
TRPV1 Q8NER1 5/20 0.37
BRAF P15056 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL3598831 1.00 RAF1 (0.40) RAF1KCNH2TRPV1BRAFCYP1A2
SCHEMBL3600559 0.94 TRPV1 (0.37) RAF1TRPV1
SCHEMBL3600563 0.94 TRPV1 (0.37) RAF1TRPV1
SCHEMBL3597995 0.92 TRPV1 (0.37) RAF1TRPV1
SCHEMBL3597991 0.92 TRPV1 (0.37) RAF1TRPV1
SCHEMBL13545477 0.89 TRPV1 (0.38) TRPV1
SCHEMBL3592645 0.88 TRPV1 (0.49) RAF1KCNH2TRPV1BRAFCYP1A2
SCHEMBL3604208 0.88 TRPV1 (0.45) TRPV1
SCHEMBL3604204 0.88 TRPV1 (0.45) TRPV1
SCHEMBL3598048 0.85 TRPV1 (0.47) 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 4 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
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 RAF1 1753/4885KCNH2 416/4885TRPV1 2518/4885

“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.