SCHEMBL2644216

SCHEMBL2644216

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GCK P35557 1/20 0.40
TP53 P04637 1/20 0.39
WNT3A P56704 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
DEGS1 O15121 1/20 0.39
MMP13 P45452 2/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
VNN1 O95497 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38

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
SCHEMBL2642709 0.93 MAPT (0.42) TSHRALDH1A1MEN1KMT2ATP53
SCHEMBL2643421 0.92 VNN1 (0.43) TSHRALDH1A1MEN1KMT2ATP53
SCHEMBL2643472 0.90 RAB9A (0.45) TSHRALDH1A1MEN1KMT2ATP53
SCHEMBL2643492 0.89 ALDH1A1 (0.53) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL2656449 0.87 TSHR (0.38) TSHRALDH1A1MEN1KMT2AGCK
SCHEMBL1618842 0.87 ALDH1A1 (0.42) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL2644183 0.86 CCR6 (0.41) TSHRALDH1A1WNT3AKDM4EVNN1
SCHEMBL2660303 0.86 WNT3A (0.36) TSHRALDH1A1MEN1KMT2ATP53
SCHEMBL2644277 0.84 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ATP53KDM4E
SCHEMBL2643678 0.84 CACNA1H (0.38) ALDH1A1MEN1KMT2ATP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680122-B2 Substituted pyrrolones as allosteric modulators of glucokinase JANSSEN PHARMACETICA N.V. (BE) 2014-03-25 US claimed
EP-1951707-A1 SUBSTITUTED PYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-06 EP claimed
WO-2007053657-A1 SUBSTITUTED PYRROLONES 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-8680122-B2 Substituted pyrrolones as allosteric modulators of glucokinase JANSSEN PHARMACETICA N.V. (BE) 2014-03-25 US disclosed
US-8680122-B2 Substituted pyrrolones as allosteric modulators of glucokinase JANSSEN PHARMACETICA N.V. (BE) 2014-03-25 US disclosed
US-8680122-B2 Substituted pyrrolones as allosteric modulators of glucokinase JANSSEN PHARMACETICA N.V. (BE) 2014-03-25 US disclosed
US-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase GCK, GCKR, PDXK TSHR 3038/4885ALDH1A1 2312/4885MEN1 4513/4885

“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.