SCHEMBL963032

SCHEMBL963032

COc1cc(C)ccc1S(=O)(=O)NC(=O)/C=C/c1c(C)nn(C)c1-n1cc(C)c2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.37
MEP1B Q16820 1/20 0.36
TRPM5 Q9NZQ8 1/20 0.36
PTGER3 P43115 3/20 0.34
NAMPT P43490 1/20 0.34
ABCB1 P08183 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KEAP1 Q14145 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.32
EDNRB P24530 2/20 0.32
EDNRA P25101 2/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL963035 1.00 ALPL (0.37) ALPLMEP1BTRPM5PTGER3NAMPT
SCHEMBL963599 0.85 ENPP3 (0.42) PTGER3ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL963601 0.85 ENPP3 (0.42) PTGER3ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL964805 0.78 MEP1B (0.35) ALPLMEP1BPTGER3NAMPTALDH1A1
SCHEMBL964807 0.78 MEP1B (0.35) ALPLMEP1BPTGER3NAMPTALDH1A1
SCHEMBL965294 0.78 EGFR (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL965295 0.78 EGFR (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL967084 0.77 PPARG (0.38) PTGER3
SCHEMBL967085 0.77 PPARG (0.38) PTGER3
SCHEMBL964336 0.77 ALDH1A1 (0.46) TRPM5ALDH1A1SMN1; SMN2MEN1KMT2A

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 4 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
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO 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 ALPL 1951/4885MEP1B 1752/4885TRPM5 2956/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ALPL 2252/4885MEP1B 3025/4885TRPM5 1242/4885

“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.