SCHEMBL962358

SCHEMBL962358

COc1ccc2ccn(-c3c(CCS(N)(=O)=O)c(C)nn3C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
ROCK1 Q13464 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR6 P50406 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MTNR1A P48039 5/20 0.36
MTNR1B P49286 5/20 0.36
MAOB P27338 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS2 P35354 1/20 0.34
MAOA P21397 1/20 0.34
DYRK1A Q13627 1/20 0.34
MAPT P10636 1/20 0.34
FABP4 P15090 1/20 0.34

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
SCHEMBL5115230 0.85 MTNR1A (0.39) CA2ROCK1MEN1KMT2AMTNR1A
SCHEMBL962365 0.85 CDK2 (0.37) ROCK1HTR6KMT2ALMNASMN1; SMN2
SCHEMBL964048 0.83 PHGDH (0.36) CA2LMNASMN1; SMN2PTGS2MAPT
SCHEMBL962736 0.83 CDC7 (0.40)
SCHEMBL962203 0.80 MTNR1A (0.35) CA2HTR2AHTR2CMEN1KMT2A
SCHEMBL964710 0.79 CA2 (0.42) CA2ROCK1HTR2AHTR2CHTR6
SCHEMBL965064 0.79 TP53 (0.41) MEN1KMT2AMTNR1AMTNR1BTP53
SCHEMBL963189 0.79 MAPK8 (0.36) HTR2AHTR2CHTR6KMT2ALMNA
SCHEMBL964603 0.79 SMN1; SMN2 (0.35) HTR2AHTR2CLMNASMN1; SMN2ALDH1A1
SCHEMBL964576 0.78 CA2 (0.46) CA2ROCK1HTR2AHTR2CHTR6

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 CA2 466/4885ROCK1 2974/4885HTR2A 4584/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CA2 3200/4885ROCK1 3736/4885HTR2A 2832/4885

“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.