SCHEMBL2654971

SCHEMBL2654971

O=C(O)CSC1C2=C(CCCC2)C(=O)N1Cc1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
CMA1 P23946 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HDAC6 Q9UBN7 1/20 0.38
FFAR1 O14842 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
P2RX7 Q99572 1/20 0.37
GRM2 Q14416 1/20 0.37
GRM3 Q14832 1/20 0.37
TSHR P16473 1/20 0.37
FAAH O00519 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL2644965 0.82 TAOK1 (0.43) HCRTR1HCRTR2TDP1ALDH1A1POLB
SCHEMBL2656736 0.79 HCRTR1 (0.47) HCRTR1HCRTR2TDP1HDAC6HPGD
SCHEMBL2662538 0.77 HTT (0.38) HCRTR1HCRTR2POLBTSHRMAPT
SCHEMBL2660823 0.74 MEN1 (0.30) KMT2A
SCHEMBL5457165 0.74 ALDH1A1 (0.44) HCRTR1HCRTR2CMA1ALDH1A1KDM4E
SCHEMBL5459715 0.73 ALDH1A1 (0.43) HCRTR1HCRTR2CMA1ALDH1A1KDM4E
SCHEMBL2662739 0.72 HCRTR1 (0.42) HCRTR1HCRTR2POLBFAAHMAPT
SCHEMBL2655588 0.70 KDM4E (0.49) HCRTR1HCRTR2POLBTSHRMAPT
SCHEMBL298888 0.66 HCRTR1 (0.59) CYP1A2HCRTR1HCRTR2CMA1TDP1
SCHEMBL289504 0.66 HCRTR1 (0.59) CYP1A2HCRTR1HCRTR2CMA1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960386-A2 SUBSTITUTED CYCLOALKYLPYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-27 EP disclosed
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US disclosed
WO-2007053765-A2 SUBSTITUTED CYCLOALKYLPYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO 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 CYP1A2 1718/4885HCRTR1 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.