SCHEMBL3723745

SCHEMBL3723745

CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3nnc(Cc4ccccc4OC(F)(F)F)s3)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.44
WNT3A P56704 14/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
MAPK1 P28482 1/20 0.43
NOD2 Q9HC29 1/20 0.43
ESR2 Q92731 1/20 0.43
GRAMD1A Q96CP6 1/20 0.40

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
SCHEMBL3727207 0.89 ESR2 (0.44) GLSWNT3ALMNAGLAMAPK1
SCHEMBL3731644 0.89 DGAT1 (0.47) GLSLMNAGLAMAPK1NOD2
SCHEMBL3724802 0.88 ESR2 (0.46) GLSLMNAGLAMAPK1NOD2
SCHEMBL3734829 0.88 LMNA (0.51) GLSLMNAGLAMAPK1NOD2
SCHEMBL3731029 0.86 SIRT2 (0.45) GLSLMNAGLAMAPK1NOD2
SCHEMBL3740010 0.86 RXFP1 (0.53) GLSLMNAGLAMAPK1NOD2
SCHEMBL3733053 0.85 LMNA (0.48) GLSWNT3ALMNAGLAMAPK1
SCHEMBL3728807 0.85 ESR2 (0.43) GLSWNT3ALMNAGLAMAPK1
SCHEMBL3733735 0.84 ESR2 (0.47) LMNAGLAMAPK1NOD2ESR2
SCHEMBL3733264 0.84 GLS (0.44) GLSLMNAGLAMAPK1NOD2

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 GLS 737/4885WNT3A 2482/4885LMNA 2761/4885

“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.