SCHEMBL15925123

SCHEMBL15925123

Cn1cnc(CC(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 18/20 0.41
▸ CPB1 P15086 5/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL15925039 0.84 SCN9A (0.39) CPB2CPB1CYP2C9TSHRCYP2C19
SCHEMBL15592491 0.79 CYP2C9 (0.42) CPB2CPB1CYP2C9TSHRCYP2C19
SCHEMBL24004547 0.79 CPB2 (0.47) CPB2CPB1CYP2C9TSHRCYP2C19
SCHEMBL16508840 0.79 CYP2C9 (0.44) CPB2CPB1CYP2C9TSHRCYP2C19
SCHEMBL15601885 0.79 CYP2C9 (0.44) CPB2CPB1CYP2C9TSHRCYP2C19
SCHEMBL52215 0.78 CYP2C9 (0.47) CPB2CPB1CYP2C9TSHRCYP2C19
SCHEMBL163222 0.78 CYP2C9 (0.47) CPB2CPB1CYP2C9TSHRCYP2C19
SCHEMBL52216 0.78 CYP2C9 (0.47) CPB2CPB1CYP2C9TSHRCYP2C19
SCHEMBL16508860 0.76 CPB2 (0.51) CPB2CPB1CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL3843450 0.76 TDP1 (0.49) CPB2CPB1CYP2C9TSHRCYP2C19

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 CPB2 3671/4885CPB1 4403/4885CYP2C9 1875/4885

“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.

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