SCHEMBL966013

SCHEMBL966013

Cc1nn(C)c(-n2ccc3cc(F)ccc32)c1C=CS(N)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KCNH2 Q12809 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
PLK2 Q9NYY3 2/20 0.32
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
PLK1 P53350 1/20 0.30
MAPT P10636 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL966011 1.00 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10HTR2A
SCHEMBL964782 0.87 SMN1; SMN2 (0.36) HTR2AHTR2CMAPTHTR6
SCHEMBL964785 0.87 SMN1; SMN2 (0.36) HTR2AHTR2CMAPTHTR6
SCHEMBL4553594 0.84 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10HTR2A
SCHEMBL962714 0.84 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10HTR2A
SCHEMBL5126173 0.83 ALDH1A1 (0.34) KDM4EALDH1A1HPGDHSD17B10ACSS2
SCHEMBL962979 0.83 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL962977 0.83 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL963139 0.81 CDC7 (0.42) PTGS1PTGS2
SCHEMBL963134 0.81 CDC7 (0.42) PTGS1PTGS2

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 KDM4E 1314/4885ALDH1A1 421/4885HPGD 598/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG KDM4E 1776/4885ALDH1A1 821/4885HPGD 378/4885

“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.