SCHEMBL15511484

SCHEMBL15511484

CNCC(C)(C)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
PRSS1 P07477 1/20 0.35
CTSG P08311 1/20 0.35
CTRB1 P17538 1/20 0.35
CMA1 P23946 1/20 0.35
TSHR P16473 1/20 0.32
KCNN4 O15554 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL20172538 0.82 DGAT1 (0.34) DGAT1ALDH1A1
SCHEMBL5398088 0.81 PRSS1 (0.33) PRSS1CTSGCTRB1CMA1
SCHEMBL24780623 0.81 DGAT1 (0.46) DGAT1PRSS1CTSGCTRB1CMA1
SCHEMBL16057010 0.80 DGAT1 (0.39) DGAT1TSHRKCNN4ALDH1A1
SCHEMBL12798162 0.79 CYP4F2 (0.48) TSHRALDH1A1
SCHEMBL16750337 0.78 DGAT1 (0.38) DGAT1PRSS1CTSGCTRB1CMA1
Hydrochloric Acid SCHEMBL22070617 0.78 CYP4F2 (0.47) TSHRALDH1A1
SCHEMBL18843323 0.76 DGAT1 (0.37) DGAT1
SCHEMBL21561597 0.76 DGAT1 (0.37) DGAT1PRSS1CTSGCTRB1CMA1
SCHEMBL31580967 0.76 DGAT1 (0.37) DGAT1PRSS1CTSGCTRB1CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906534-B1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES GRUENENTHAL GMBH (DE) 2016-12-07 EP disclosed
US-9302988-B2 Fluoromethyl-substituted pyrrole carboxamides Grünenthal GmbH (DE) 2016-04-05 US disclosed
EP-2906534-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES Grünenthal GmbH (DE) 2015-08-19 EP disclosed
CN-104755459-A Fluoromethyl-substituted pyrrolecarboxamides GRUENENTHAL CHEMIE 2015-07-01 CN disclosed
WO-2014032801-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES Grünenthal GmbH (DE) 2014-03-06 WO disclosed
US-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES GRUENENTHAL GMBH (DE) 2014-03-06 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-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES TRPV1, CACNA1B, CACNA1G DGAT1 3206/4885PRSS1 2697/4885CTSG 505/4885

“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.