SCHEMBL963219

SCHEMBL963219

CCCCNC(=O)NS(=O)(=O)CCc1c(C)nn(C)c1-n1ccc2ccc(C(F)(F)F)cc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
PPARG P37231 7/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
FBP1 P09467 1/20 0.33
ALB P02768 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.32
PPARA Q07869 1/20 0.32
S1PR1 P21453 2/20 0.31
CDC7 O00311 1/20 0.31
CDK2 P24941 1/20 0.31
MET P08581 1/20 0.31
TP53 P04637 1/20 0.31
MCL1 Q07820 1/20 0.30
PTGER4 P35408 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
SCHEMBL963019 0.88 TP53 (0.37) PPARGLMNAALDH1A1FBP1ALB
SCHEMBL5119374 0.88 CDC7 (0.35) MAPTPPARGALDH1A1S1PR1CDC7
SCHEMBL965064 0.87 TP53 (0.41) HPGDTP53
SCHEMBL964638 0.86 MAPT (0.35) MAPTPPARGLMNAALDH1A1FBP1
SCHEMBL961699 0.85 CYP2C9 (0.34) PPARGLMNAALDH1A1FBP1ALB
SCHEMBL964880 0.83 TP53 (0.37) PPARGLMNAALDH1A1FBP1ALB
SCHEMBL966058 0.83 TP53 (0.38) PPARGLMNAALDH1A1TSHRTP53
SCHEMBL966068 0.81 SHMT2 (0.38) MAPTLMNAALDH1A1FBP1ALB
SCHEMBL966294 0.80 LMNA (0.33) MAPTLMNATSHRS1PR1CDC7
SCHEMBL963241 0.80 ALDH1A1 (0.36) MAPTPPARGLMNAALDH1A1FBP1

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 MAPT 4343/4885PPARG 248/4885LMNA 3775/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG MAPT 4720/4885PPARG 3/4885LMNA 3461/4885

“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.