SCHEMBL2643674

SCHEMBL2643674

CCc1ccc(CN2C(=O)C(C)=C(C)C2SCC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.40
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
MGLL Q99685 1/20 0.36
ALDH1A1 P00352 4/20 0.36
ANXA2 P07355 1/20 0.34
S100A10 P60903 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.32
FAAH O00519 1/20 0.32
CTSB P07858 1/20 0.32
ELANE P08246 1/20 0.32
DUSP3 P51452 1/20 0.32

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
SCHEMBL2643321 0.88 MEN1 (0.55) MEN1KMT2AMAPTHTT
SCHEMBL2644763 0.80 KMT2A (0.47) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2643223 0.77 KMT2A (0.49) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5457165 0.69 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL2662538 0.69 HTT (0.38) MEN1KMT2AMAPTHTT
SCHEMBL5459715 0.68 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL5457294 0.68 KMT2A (0.36) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2662739 0.66 HCRTR1 (0.42) MEN1KMT2AKDM4ESMN1; SMN2S1PR1
SCHEMBL17988099 0.66 MEN1 (0.58) MEN1KMT2AKDM4ETP53ELANE
SCHEMBL2645162 0.66 MEN1 (0.45) MEN1KMT2AKDM4EALDH1A1HTT

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 2 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-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 MEN1 4513/4885KMT2A 3063/4885KDM4E 1136/4885

“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.