SCHEMBL2656449

SCHEMBL2656449

COc1ccc(CN2C(=O)C3=C(CCCC3)C2SCC(=O)Nc2ccc(C(=O)O)cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PORCN Q9H237 1/20 0.38
POLB P06746 1/20 0.38
GCK P35557 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CDK5 Q00535 3/20 0.36
CDK5R1 Q15078 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MMP13 P45452 2/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
DEGS1 O15121 1/20 0.36
CACNA1H O95180 1/20 0.36

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
SCHEMBL2666710 0.93 MAPK1 (0.40) TSHRALDH1A1MEN1KMT2APOLB
SCHEMBL2666708 0.91 GCK (0.43) GCK
SCHEMBL2666550 0.89 PORCN (0.37) KMT2APORCNGCKMMP13DEGS1
SCHEMBL2644216 0.87 TSHR (0.41) TSHRALDH1A1MEN1KMT2AGCK
SCHEMBL9071257 0.86 HCRTR1 (0.37) GCK
SCHEMBL2666711 0.86 ALDH1A1 (0.45) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL2666573 0.85 ALDH1A1 (0.45) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL2656882 0.84 ADORA2A (0.34) ALDH1A1MEN1KMT2AGCKKDM4E
SCHEMBL1618842 0.84 ALDH1A1 (0.42) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL2666597 0.83 CACNA1H (0.38) ALDH1A1KMT2AMAPTCACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US claimed
EP-1960386-A2 SUBSTITUTED CYCLOALKYLPYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-27 EP 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
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
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 (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-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase GCKR, GCK, GALK1 TSHR 2480/4885ALDH1A1 2410/4885MEN1 4622/4885

“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.