SCHEMBL963829

SCHEMBL963829

Cc1nn(C)c(-n2ccc3cc(C(F)(F)F)cnc32)c1/C=C/S(N)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
PTGS2 P35354 8/20 0.33
PTGS1 P23219 2/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
NR3C1 P04150 1/20 0.32
KDM4E B2RXH2 2/20 0.31
PDE10A Q9Y233 1/20 0.31
MAPT P10636 1/20 0.31
MCL1 Q07820 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
SCHEMBL963832 1.00 ALDH1A1 (0.34) ALDH1A1PTGS2PTGS1LMNAPOLB
SCHEMBL966061 0.88
SCHEMBL964922 0.88
SCHEMBL961987 0.86 POLB (0.34) ALDH1A1LMNAPOLBNR3C1KDM4E
SCHEMBL963163 0.86 HTT (0.32) LMNAMAPT
SCHEMBL963160 0.86 HTT (0.32) LMNAMAPT
SCHEMBL965690 0.85 ALDH1A1 (0.42) ALDH1A1POLBNR3C1KDM4EMAPT
SCHEMBL965692 0.85 ALDH1A1 (0.42) ALDH1A1POLBNR3C1KDM4EMAPT
SCHEMBL962206 0.82 PKMYT1 (0.31) KDM4E
SCHEMBL963139 0.82 CDC7 (0.42) PTGS2PTGS1PDE10AMCL1

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 2 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
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 ALDH1A1 421/4885PTGS2 1283/4885PTGS1 509/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ALDH1A1 821/4885PTGS2 710/4885PTGS1 299/4885

“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.