SCHEMBL3725293

SCHEMBL3725293

CC(C)COc1ccc(Cl)cc1OCc1nnc(NC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)s1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.46
ESR2 Q92731 1/20 0.44
GRAMD1A Q96CP6 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
NOD2 Q9HC29 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MAP3K5 Q99683 3/20 0.39
GCK P35557 4/20 0.39

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
SCHEMBL3729653 0.90 ESR2 (0.48) ESR2GRAMD1ALMNAGLAMAPK1
SCHEMBL3727225 0.90 ESR2 (0.48) ESR2GRAMD1ALMNAGLAMAPK1
SCHEMBL3729696 0.86 KMT2A (0.54) ESR2GRAMD1ALMNAGLAMAPK1
SCHEMBL3723583 0.85 ESR2 (0.49) ESR2GRAMD1ALMNAGLAMAPK1
SCHEMBL3727140 0.85 LMNA (0.49) ESR2GRAMD1ALMNAGLAMAPK1
SCHEMBL3741798 0.84 ESR2 (0.47) ESR2GRAMD1ALMNAGLAMAPK1
SCHEMBL3727174 0.84 LMNA (0.48) ESR2GRAMD1ALMNAGLAMAPK1
SCHEMBL3725062 0.84 ESR2 (0.47) ESR2GRAMD1ALMNAGLAMAPK1
SCHEMBL3729473 0.84 ESR2 (0.51) ESR2GRAMD1ALMNAGLAMAPK1
SCHEMBL3723716 0.83 ESR2 (0.45) ESR2GRAMD1ALMNAGLAMAPK1

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 PTGER1 923/4885ESR2 3678/4885GRAMD1A 1569/4885

“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.