SCHEMBL963601

SCHEMBL963601

Cc1ccc(S(=O)(=O)NC(=O)C=Cc2c(C)nn(C)c2-n2cc(C)c3cccnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 1/20 0.40
EGFR P00533 2/20 0.38
PTGS2 P35354 3/20 0.38
HDAC4 P56524 5/20 0.37
HDAC1 Q13547 5/20 0.37
HDAC8 Q9BY41 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC3 O15379 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 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
SCHEMBL963599 1.00 ENPP3 (0.42) ENPP3MEN1KMT2AMAPTEGFR
SCHEMBL965295 0.91 EGFR (0.41) ENPP3MEN1KMT2AMAPTEGFR
SCHEMBL965294 0.91 EGFR (0.41) ENPP3MEN1KMT2AMAPTEGFR
SCHEMBL963032 0.85 ALPL (0.37) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL963035 0.85 ALPL (0.37) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL963249 0.85 ENPP3 (0.54) ENPP3MEN1KMT2AMAPTEGFR
SCHEMBL963247 0.85 ENPP3 (0.54) ENPP3MEN1KMT2AMAPTEGFR
SCHEMBL967084 0.82 PPARG (0.38) PTGER3
SCHEMBL967085 0.82 PPARG (0.38) PTGER3
SCHEMBL964336 0.82 ALDH1A1 (0.46) MEN1KMT2AMAPTEGFRKDM4E

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (2 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 ENPP3 1924/4885MEN1 1234/4885KMT2A 1809/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ENPP3 2208/4885MEN1 4766/4885KMT2A 2017/4885

“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.