SCHEMBL15909212

SCHEMBL15909212

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CN2C(=O)CSC2=O)N(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.32
USP2 O75604 1/20 0.31
PPM1D O15297 1/20 0.31
GAA P10253 3/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21272035 0.79 KDM4E (0.36) ALDH1A1KDM4EHSD17B10
SCHEMBL21271883 0.79 KDM4E (0.36) ALDH1A1KDM4EHSD17B10
SCHEMBL4294393 0.79 KDM4E (0.36) ALDH1A1KDM4EHSD17B10
SCHEMBL29245844 0.76 PPM1D (0.34) PPM1D
SCHEMBL30729563 0.76 PPM1D (0.34) PPM1D
SCHEMBL5314317 0.76 PPM1D (0.34) PPM1D
SCHEMBL376587 0.76 PPM1D (0.34) PPM1D
SCHEMBL2634064 0.76 PPM1D (0.34) PPM1D
SCHEMBL3470472 0.76 PPM1D (0.34) PPM1D
SCHEMBL3525995 0.76 PPM1D (0.34) PPM1D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796256-B2 Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 US disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 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-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA ALDH1A1 2148/4885POLB 2258/4885USP2 2286/4885

“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.