SCHEMBL3608231

SCHEMBL3608231

O=C(O)c1cncc(-c2cnc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)c(C(=O)O)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.59
RBP4 P02753 2/20 0.51
TTR P02766 2/20 0.51
SCD5 Q86SK9 1/20 0.49

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
SCHEMBL3613973 0.87 SCD (0.59) SCDRBP4TTR
SCHEMBL3608227 0.87 SCD (0.72) SCDRBP4TTRSCD5
SCHEMBL3596381 0.85 TTR (0.47) SCDRBP4TTR
SCHEMBL3611006 0.84 SCD (0.78) SCDSCD5
SCHEMBL3593905 0.80 SCD (0.53) SCDSCD5
SCHEMBL3592041 0.80 SCD (0.61) SCDRBP4TTR
SCHEMBL3596377 0.76 SCD (0.57) SCDRBP4TTR
SCHEMBL1817451 0.75 SCD (0.71) SCDRBP4TTR
SCHEMBL13547456 0.75 SCD (0.68) SCDRBP4TTR
SCHEMBL3604386 0.75 SCD (0.58) SCDRBP4TTR

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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 SCD 1/4885RBP4 557/4885TTR 2239/4885

“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.