SCHEMBL3729472

SCHEMBL3729472

CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3nnc(Cc4cccc(C(F)(F)F)c4)s3)ccc2C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.56
ESR2 Q92731 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
MAPK1 P28482 1/20 0.42
NOD2 Q9HC29 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLS O94925 1/20 0.42

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
SCHEMBL3728160 0.92 ESR2 (0.46) SCDESR2RXFP1MEN1KMT2A
SCHEMBL3740010 0.90 RXFP1 (0.53) ESR2RXFP1MEN1KMT2ALMNA
SCHEMBL3738387 0.89 DGAT1 (0.49) SCDESR2RXFP1MEN1KMT2A
SCHEMBL3725240 0.88 LMNA (0.47) SCDESR2RXFP1MEN1KMT2A
SCHEMBL3725769 0.87 RXFP1 (0.49) ESR2RXFP1MEN1KMT2ALMNA
SCHEMBL3733735 0.87 ESR2 (0.47) ESR2RXFP1MEN1KMT2ALMNA
SCHEMBL3727599 0.86 RXFP1 (0.47) ESR2RXFP1MEN1KMT2ALMNA
SCHEMBL3737255 0.86 LMNA (0.50) ESR2RXFP1MEN1KMT2ALMNA
SCHEMBL13573288 0.86 ESR2 (0.43) SCDESR2
SCHEMBL3727207 0.85 ESR2 (0.44) SCDESR2RXFP1MEN1KMT2A

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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 SCD 1/4885ESR2 3678/4885RXFP1 4654/4885

“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.