SCHEMBL963617

SCHEMBL963617

Cc1nn(C)c(-n2ccc3ccc(Cl)cc32)c1CCS(=O)(=O)NC(=O)NCC1CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.39
NPY5R Q15761 2/20 0.38
CNR2 P34972 5/20 0.34
BACE1 P56817 3/20 0.34
RAB9A P51151 3/20 0.33
CNR1 P21554 3/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
SCD O00767 1/20 0.33
MALT1 Q9UDY8 1/20 0.32
F10 P00742 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
SCHEMBL963748 0.94 FBP1 (0.39) FBP1NPY5RCNR2BACE1RAB9A
SCHEMBL966058 0.88 TP53 (0.38) CNR2RAB9ACNR1NPC1TP53
SCHEMBL4554505 0.86 NPY5R (0.34) NPY5RRAB9ATP53F10
SCHEMBL5115435 0.86 KMO (0.38) RAB9ANPC1TP53KMT2A
SCHEMBL963019 0.86 TP53 (0.37) FBP1CNR2RAB9ACNR1NPC1
SCHEMBL4554288 0.81 TP53 (0.38) CNR2RAB9ACNR1NPC1TP53
SCHEMBL4554438 0.80 MAPK8 (0.35) RAB9ATP53
SCHEMBL963610 0.80 IRAK4 (0.35) RAB9ANPC1TP53POLBKMT2A
SCHEMBL964859 0.80 IRAK4 (0.35) CNR2RAB9ANPC1TP53KMT2A
SCHEMBL4554652 0.80 GABRA1 (0.36) NPY5RTP53

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 FBP1 74/4885NPY5R 1067/4885CNR2 2360/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG FBP1 1241/4885NPY5R 764/4885CNR2 290/4885

“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.