SCHEMBL10280798

SCHEMBL10280798

Cc1cc(/C(CC(c2ccc(C(=O)NCCC3CCS(=O)(=O)CC3)cc2)c2ccc(F)cc2F)=N/O)ccn1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.58
EPHX2 P34913 2/20 0.35
NAMPT P43490 1/20 0.34
CHRM4 P08173 5/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
GCG P01275 2/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL1389950 0.90 GPBAR1 (0.61) GPBAR1
SCHEMBL1390115 0.87 GPBAR1 (0.57) GPBAR1NAMPT
SCHEMBL1389995 0.85 GPBAR1 (0.63) GPBAR1EPHX2
SCHEMBL1389999 0.85 GPBAR1 (0.63) GPBAR1EPHX2
SCHEMBL363824 0.85 GPBAR1 (0.63) GPBAR1EPHX2
SCHEMBL1389784 0.85 GPBAR1 (0.67) GPBAR1
SCHEMBL1389782 0.85 GPBAR1 (0.67) GPBAR1
SCHEMBL362992 0.85 GPBAR1 (0.67) GPBAR1
SCHEMBL1389968 0.83 GPBAR1 (0.64) GPBAR1
SCHEMBL362388 0.83 GPBAR1 (0.64) GPBAR1

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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885EPHX2 1909/4885NAMPT 4092/4885

“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.