SCHEMBL2644038

SCHEMBL2644038

COc1ccc(CN2C(=O)c3ccccc3C2CCOS(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.46
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HKDC1 Q2TB90 1/20 0.45
MAPT P10636 4/20 0.43
MAPK1 P28482 2/20 0.43
DRD4 P21917 1/20 0.42
APAF1 O14727 1/20 0.41
GAA P10253 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
CHRM5 P08912 1/20 0.41
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FFAR1 O14842 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL2644700 0.90 MEN1 (0.49) MEN1KMT2AMAPTMAPK1GAA
SCHEMBL2643594 0.89 CASP3 (0.48) CASP3KDM4EMEN1KMT2AHKDC1
SCHEMBL2643460 0.83 KDM4E (0.48) CASP3KDM4EMEN1KMT2AHKDC1
SCHEMBL2643782 0.83 KDM4E (0.52) CASP3KDM4EMEN1KMT2AHKDC1
SCHEMBL9071628 0.81 KDM4E (0.47) CASP3KDM4EMEN1KMT2AHKDC1
SCHEMBL2644660 0.81 KDM4E (0.53) CASP3KDM4EMEN1KMT2AHKDC1
SCHEMBL2644601 0.80 KDM4E (0.51) CASP3KDM4EMEN1KMT2AHKDC1
SCHEMBL2643348 0.80 KDM4E (0.54) CASP3KDM4EMEN1KMT2AHKDC1
SCHEMBL2643718 0.80 MEN1 (0.49) CASP3KDM4EMEN1KMT2AHKDC1
SCHEMBL2643292 0.80 KDM4E (0.49) CASP3KDM4EMEN1KMT2AHKDC1

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-8796313-B2 Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2014-08-05 US disclosed
US-20070099930-A1 Substituted Dihydroisoindolones 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-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase GCK, GCKR, GPR119 CASP3 4136/4885KDM4E 1206/4885MEN1 4234/4885

“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.