SCHEMBL3334776

SCHEMBL3334776

O=C(O)c1cccc(CSc2nc3nc(N4CCC(Oc5cc(F)ccc5Br)CC4)sc3c(=O)[nH]2)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.63
ACMSD Q8TDX5 4/20 0.44
SCD5 Q86SK9 1/20 0.43
CXCR2 P25025 1/20 0.41

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
SCHEMBL14037192 0.92 SCD (0.63) SCDSCD5
SCHEMBL3341516 0.86 SCD (0.74) SCDSCD5
SCHEMBL3340193 0.86 SCD (0.63) SCDSCD5
SCHEMBL3336699 0.80 SCD (0.67) SCDSCD5
SCHEMBL3336807 0.78 SCD (1.00) SCDSCD5
SCHEMBL14037191 0.78 SCD (0.70) SCDSCD5
SCHEMBL3337640 0.77 SCD (0.71) SCDSCD5
SCHEMBL3333106 0.77 SCD (0.78) SCDSCD5
SCHEMBL3337209 0.76 SCD (0.87) SCDSCD5
SCHEMBL3336697 0.74 SCD (0.84) SCDSCD5

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-20100152208-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2010-06-17 US disclosed
US-20100152208-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2010-06-17 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-20100152208-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, CPT1A SCD 1/4885ACMSD 922/4885SCD5 2/4885

“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.