SCHEMBL2644477

SCHEMBL2644477

NC(=O)c1ccc(NC(=O)CSC2C3=C(CCCC3)C(=O)N2Cc2ccc(F)cc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.41
OPRK1 P41145 1/20 0.41
PRKAA2 P54646 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DEGS1 O15121 2/20 0.33
EPHX2 P34913 1/20 0.33
OPRL1 P41146 1/20 0.33
PORCN Q9H237 1/20 0.33
CACNA1H O95180 1/20 0.33
NNMT P40261 1/20 0.33

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
SCHEMBL2666550 0.92 PORCN (0.37) PRKAA2L3MBTL1KMT2ADEGS1PORCN
SCHEMBL2666861 0.87 OPRM1 (0.32) OPRM1OPRK1EPHX2OPRL1PORCN
SCHEMBL2666597 0.86 CACNA1H (0.38) KMT2ACACNA1H
SCHEMBL2656449 0.82 TSHR (0.38) MEN1KMT2ADEGS1PORCNCACNA1H
SCHEMBL2666710 0.82 MAPK1 (0.40) MEN1KMT2ADEGS1CACNA1H
SCHEMBL2666708 0.80 GCK (0.43)
SCHEMBL2643471 0.80 MAPK10 (0.40) CACNA1H
SCHEMBL2666860 0.79 PORCN (0.35) PORCN
SCHEMBL9071257 0.79 HCRTR1 (0.37) OPRM1OPRL1
SCHEMBL2660190 0.78 KMT2A (0.39) OPRM1MEN1KMT2ADEGS1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960386-A2 SUBSTITUTED CYCLOALKYLPYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-27 EP claimed
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US claimed
WO-2007053765-A2 SUBSTITUTED CYCLOALKYLPYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO claimed
US-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US claimed
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US disclosed
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US disclosed
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US disclosed
WO-2007053765-A2 SUBSTITUTED CYCLOALKYLPYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO 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 (2 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-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase GCKR, GCK, GALK1 OPRM1 4183/4885OPRK1 820/4885PRKAA2 30/4885
US-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase GCK, GCKR, PDXK OPRM1 4151/4885OPRK1 919/4885PRKAA2 34/4885

“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.