SCHEMBL9897779

SCHEMBL9897779

CC(CS(C)(=O)=O)C(C#N)(Cn1nc2ccc(Cl)cc2n1)NC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 15/20 0.40
TRPV1 Q8NER1 2/20 0.40
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
DHODH Q02127 1/20 0.36
GIPR P48546 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.36
DDR1 Q08345 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
SCHEMBL9894696 0.89 TRPV1 (0.41) GCGRTRPV1DHODHGIPRCYP3A4
SCHEMBL9896545 0.89 TRPV1 (0.41) GCGRTRPV1DHODHGIPRCYP3A4
SCHEMBL205772 0.85 TRPV1 (0.42) GCGRTRPV1EPHX2NR1H4DHODH
SCHEMBL9897780 0.83 TRPV1 (0.40) GCGRTRPV1EPHX2NR1H4DHODH
SCHEMBL204709 0.82 TRPV1 (0.46) GCGRTRPV1EPHX2NR1H4DHODH
SCHEMBL9897782 0.82 TRPV1 (0.41) GCGRTRPV1EPHX2NR1H4DHODH
SCHEMBL203091 0.81 TRPV1 (0.42) GCGRTRPV1DHODH
SCHEMBL205272 0.80 TRPV1 (0.44) GCGRTRPV1DHODHGIPRCYP3A4
SCHEMBL204527 0.80 TRPV1 (0.44) GCGRTRPV1DHODHGIPRCYP3A4
SCHEMBL202741 0.79 TRPV1 (0.45) GCGRTRPV1DHODHGIPRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149750-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2012-06-14 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-20120149750-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR GCGR 1177/4885TRPV1 4024/4885EPHX2 403/4885

“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.