SCHEMBL2643069

SCHEMBL2643069

COc1ccc(CN2C(=O)C(C)=C(C)C2SCC(=O)Nc2nccs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
PKM P14618 1/20 0.53
LMNA P02545 2/20 0.50
KMT2A Q03164 8/20 0.49
MEN1 O00255 7/20 0.49
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KCNA5 P22460 1/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL2666712 0.87 NPC1 (0.48) NPC1RAB9APKMLMNAKMT2A
SCHEMBL1619278 0.87 MEN1 (0.49) NPC1RAB9APKMLMNAKMT2A
SCHEMBL2642989 0.85 NPC1 (0.60) NPC1RAB9APKMLMNAKMT2A
SCHEMBL2644277 0.82 ALDH1A1 (0.48) NPC1RAB9APKMKMT2AMEN1
SCHEMBL2643876 0.81 TP53 (0.46) RAB9ALMNAKMT2AMEN1MAPT
SCHEMBL2643266 0.81 ALDH1A1 (0.59) NPC1RAB9APKMLMNAKMT2A
SCHEMBL2643579 0.81 KDM4E (0.46) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2643616 0.80 ALDH1A1 (0.48) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL2643472 0.80 RAB9A (0.45) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL2643387 0.80 MEN1 (0.52) NPC1RAB9APKMLMNAKMT2A

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
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 NPC1 4566/4885RAB9A 3630/4885PKM 66/4885

“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.