SCHEMBL5459715

SCHEMBL5459715

COc1ccc(CN2C(=O)C3=C(CCC3)C2SCC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HKDC1 Q2TB90 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CMA1 P23946 1/20 0.37
LMNA P02545 1/20 0.37
MMP1 P03956 1/20 0.36
MMP13 P45452 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
GAA P10253 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
SCHEMBL5457165 0.99 ALDH1A1 (0.44) ALDH1A1HCRTR1HCRTR2MEN1KMT2A
SCHEMBL2662739 0.87 HCRTR1 (0.42) HCRTR1HCRTR2MEN1KMT2AKDM4E
SCHEMBL5463734 0.85 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL2662538 0.84 HTT (0.38) HCRTR1HCRTR2MEN1KMT2AGAA
SCHEMBL5457294 0.83 KMT2A (0.36) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL2643558 0.82 MEN1 (0.53) ALDH1A1MEN1KMT2AKDM4EHKDC1
SCHEMBL5464640 0.81 AHR (0.42) ALDH1A1HCRTR1HCRTR2MEN1KMT2A
SCHEMBL2666573 0.81 ALDH1A1 (0.45) ALDH1A1HCRTR1HCRTR2MEN1KMT2A
SCHEMBL5461495 0.80 HCRTR1 (0.45) HCRTR1HCRTR2MEN1KMT2AKDM4E
SCHEMBL5464658 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4ELMNA

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 1 patent. 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 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 ALDH1A1 2410/4885HCRTR1 4451/4885HCRTR2 4027/4885

“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.