SCHEMBL3339561

SCHEMBL3339561

O=C(O)CCc1nc2nc(N3CCC(Oc4cc(-c5ccc(C(F)(F)F)cc5)ccc4Br)CC3)sc2c(=O)[nH]1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 17/20 0.78
S1PR1 P21453 1/20 0.34

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
SCHEMBL3336807 0.88 SCD (1.00) SCD
SCHEMBL3338977 0.86 SCD (0.74) SCD
SCHEMBL3342320 0.82 SCD (0.80) SCD
SCHEMBL3337209 0.81 SCD (0.87) SCD
SCHEMBL3336697 0.80 SCD (0.84) SCD
SCHEMBL13301823 0.79 SCD (0.80) SCD
SCHEMBL13301762 0.79 SCD (0.72) SCD
SCHEMBL3336891 0.78 SCD (0.79) SCD
SCHEMBL3339039 0.78 SCD (0.71) SCD
SCHEMBL3333106 0.76 SCD (0.78) SCD

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-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
US-20100152208-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2010-06-17 US disclosed
WO-2008141455-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-11-27 WO 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 1/4885S1PR1 764/4885

“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.