SCHEMBL2644183

SCHEMBL2644183

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 2/20 0.41
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
VNN1 O95497 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C19 P33261 1/20 0.39
USP30 Q70CQ3 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CACNA1H O95180 3/20 0.39
EP300 Q09472 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
PIK3C2A O00443 1/20 0.38

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
SCHEMBL2660186 0.90 USP30 (0.41) USP30CACNA1HPIK3C2A
SCHEMBL2643472 0.88 RAB9A (0.45) TSHRKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL2643492 0.88 ALDH1A1 (0.53) TSHRKDM4ESMN1; SMN2POLBHSD17B10
SCHEMBL2642709 0.86 MAPT (0.42) TSHRKDM4EVNN1ALDH1A1WNT3A
SCHEMBL2644216 0.86 TSHR (0.41) TSHRKDM4EVNN1ALDH1A1CACNA1H
SCHEMBL2643421 0.85 VNN1 (0.43) TSHRKDM4EVNN1ALDH1A1WNT3A
SCHEMBL2644277 0.83 ALDH1A1 (0.48) KDM4ESMN1; SMN2POLBALDH1A1HCRTR1
SCHEMBL2643579 0.82 KDM4E (0.46) KDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL2643266 0.80 ALDH1A1 (0.59) KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL2643616 0.79 ALDH1A1 (0.48) TSHRKDM4ESMN1; SMN2ALDH1A1CYP2C19

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 CCR6 4179/4885TSHR 3038/4885KDM4E 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.