SCHEMBL3588099

SCHEMBL3588099

O=C(C=C1CC2(CCOCC2)Oc2cc(C(F)(F)F)ccc21)Nc1cccc2c1CCS(=O)(=O)N2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 16/20 0.35
KCNH2 Q12809 3/20 0.33
BRAF P15056 2/20 0.32
CYP1A2 P05177 1/20 0.32
TP53 P04637 1/20 0.31
TRPV1 Q8NER1 3/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL3588098 1.00 RAF1 (0.35) RAF1KCNH2BRAFCYP1A2TP53
SCHEMBL3597374 0.94 TRPV1 (0.32) TRPV1
SCHEMBL3597372 0.94 TRPV1 (0.32) TRPV1
SCHEMBL3597015 0.93 TRPV1 (0.32) TRPV1
SCHEMBL3597017 0.93 TRPV1 (0.32) TRPV1
SCHEMBL13545476 0.90 TRPV1 (0.35) TRPV1
SCHEMBL3600561 0.88 TRPV1 (0.38) TP53TRPV1
SCHEMBL3600565 0.88 TRPV1 (0.38) TP53TRPV1
SCHEMBL3598075 0.87 RAF1 (0.39) RAF1KCNH2BRAFCYP1A2TRPV1
SCHEMBL3600316 0.86 TRPV1 (0.40) 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 2 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
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 416/4885BRAF 2821/4885

“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.