SCHEMBL963019

SCHEMBL963019

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
PPARG P37231 2/20 0.36
CNR1 P21554 5/20 0.35
CNR2 P34972 5/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 3/20 0.34
CYP2C9 P11712 2/20 0.34
LMNA P02545 2/20 0.34
ALB P02768 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FBP1 P09467 1/20 0.34
POLB P06746 1/20 0.34
CYP2C19 P33261 2/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPK8 P45983 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL966058 0.95 TP53 (0.38) TP53PPARGCNR1CNR2ALDH1A1
SCHEMBL964880 0.93 TP53 (0.37) TP53PPARGCNR1CNR2ALDH1A1
SCHEMBL965064 0.89 TP53 (0.41) TP53HPGDKMT2A
SCHEMBL4554288 0.88 TP53 (0.38) TP53PPARGCNR1CNR2ALDH1A1
SCHEMBL963219 0.88 MAPT (0.35) TP53PPARGALDH1A1TSHRCYP2C9
SCHEMBL964870 0.88 PPARG (0.38) TP53PPARGCNR1CNR2POLB
SCHEMBL5115435 0.87 KMO (0.38) TP53PPARGALDH1A1LMNACYP2C19
SCHEMBL966068 0.87 SHMT2 (0.38) TP53ALDH1A1TSHRCYP2C9LMNA
SCHEMBL963617 0.86 FBP1 (0.39) TP53CNR1CNR2FBP1POLB
SCHEMBL4553762 0.86 AGTR2 (0.37) PPARGMCL1

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 TP53 2149/4885PPARG 248/4885CNR1 1414/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG TP53 1057/4885PPARG 3/4885CNR1 153/4885

“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.