SCHEMBL962959

SCHEMBL962959

Cc1nn(C)c(-n2ccc3cc(Cl)cnc32)c1CCS(N)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IRAK4 Q9NWZ3 4/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
PABPC1 P11940 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL962471 0.90 CA1 (0.31)
SCHEMBL963384 0.86 IRAK4 (0.33) IRAK4LMNA
SCHEMBL4553375 0.86 LMNA (0.33) IRAK4LMNA
SCHEMBL5120302 0.85 IRAK4 (0.34) HTTIRAK4LMNAKMT2A
SCHEMBL961700 0.85 IRAK4 (0.33) IRAK4
SCHEMBL962680 0.85 ALDH1A1 (0.33) HTTMEN1KMT2A
SCHEMBL962512 0.84 PKMYT1 (0.30)
SCHEMBL963189 0.83 MAPK8 (0.36) HTTLMNAKMT2A
SCHEMBL964453 0.82 L3MBTL1 (0.38) HTTLMNA
SCHEMBL962365 0.81 CDK2 (0.37) HTTLMNAKMT2A

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 HPGD 598/4885HTT 3376/4885HSD17B10 125/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG HPGD 378/4885HTT 3799/4885HSD17B10 189/4885

“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.