SCHEMBL2643472

SCHEMBL2643472

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
TSHR P16473 2/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 3/20 0.41
TP53 P04637 2/20 0.41
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 3/20 0.41
WNT3A P56704 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPK10 P53779 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL2643492 0.92 ALDH1A1 (0.53) RAB9ATSHRALDH1A1NPC1GAA
SCHEMBL2642709 0.90 MAPT (0.42) TSHRALDH1A1TP53LMNAWNT3A
SCHEMBL2644216 0.90 TSHR (0.41) TSHRALDH1A1TP53LMNAWNT3A
SCHEMBL2643421 0.89 VNN1 (0.43) RAB9ATSHRALDH1A1NPC1TP53
SCHEMBL2644183 0.88 CCR6 (0.41) TSHRALDH1A1GAAWNT3ASMN1; SMN2
SCHEMBL2644277 0.87 ALDH1A1 (0.48) RAB9AALDH1A1NPC1TP53GAA
SCHEMBL2643266 0.86 ALDH1A1 (0.59) RAB9AALDH1A1NPC1TP53MITF
SCHEMBL2643579 0.86 KDM4E (0.46) RAB9AALDH1A1NPC1TP53MEN1
SCHEMBL2643123 0.85 ALDH1A1 (0.48) RAB9ATSHRALDH1A1NPC1TP53
SCHEMBL2643616 0.83 ALDH1A1 (0.48) RAB9ATSHRALDH1A1NPC1TP53

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
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
EP-1951707-A1 SUBSTITUTED PYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-06 EP disclosed
WO-2007053657-A1 SUBSTITUTED PYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO 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 RAB9A 3630/4885TSHR 3038/4885ALDH1A1 2312/4885

“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.