SCHEMBL967386

SCHEMBL967386

O=Cc1sccc1-c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.47
RORB Q92753 1/20 0.47
CYP2A6 P11509 1/20 0.40
ERN1 O75460 1/20 0.40
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
PABPC1 P11940 1/20 0.37
DNMT1 P26358 1/20 0.37
PTPN1 P18031 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALPL P05186 1/20 0.37
GAA P10253 1/20 0.37
PIM1 P11309 1/20 0.36
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 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
SCHEMBL9696347 0.79 PRKDC (0.41) CYP2A6MEN1NPC1ALDH1A1MAPT
SCHEMBL964704 0.79 RORC (0.47) RORCRORBCA1CA2KDM4E
SCHEMBL964705 0.79 RORC (0.47) RORCRORBCA1CA2KDM4E
SCHEMBL14398136 0.75 WDR5 (0.61) RORCRORBERN1PTPN1KDM4E
SCHEMBL31134224 0.75 ERN1 (0.41) RORCRORBERN1DNMT1KDM4E
SCHEMBL964698 0.73 RORC (0.43) RORCRORBKDM4EMCL1ACMSD
SCHEMBL28361339 0.73 RORC (0.47) RORCRORBCYP2A6PABPC1DNMT1
SCHEMBL28361344 0.73 RORC (0.54) RORCRORBCYP2A6PABPC1DNMT1
SCHEMBL28357631 0.73 RORC (0.47) RORCRORBCYP2A6PABPC1DNMT1
SCHEMBL4315336 0.73 RORC (0.47) RORCRORBCYP2A6CA12CA1

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 5 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
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 CN 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 RORC 1507/4885RORB 1150/4885CYP2A6 347/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG RORC 33/4885RORB 27/4885CYP2A6 759/4885

“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.