SCHEMBL961690

SCHEMBL961690

Cc1ccc(S(=O)(=O)NC(=O)NCc2c(C)nn(C)c2-n2ccc3cc(Cl)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
FLT1 P17948 2/20 0.41
FLT4 P35916 2/20 0.41
KDR P35968 2/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
THRB P10828 2/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2A P28223 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39
ALB P02768 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL962603 0.83 RAB9A (0.39) MAPTALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL963421 0.80 FLT1 (0.41) MAPTALDH1A1SMN1; SMN2FLT1FLT4
SCHEMBL963423 0.80 FLT1 (0.41) MAPTALDH1A1SMN1; SMN2FLT1FLT4
SCHEMBL963820 0.78 TRPM8 (0.38) SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL966768 0.78 MAPK8 (0.36) MAPTALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL4554288 0.77 TP53 (0.38) ALDH1A1SMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL4570493 0.77 PHGDH (0.36) RAB9AKMT2ANPC1MEN1
SCHEMBL963610 0.76 IRAK4 (0.35) SMN1; SMN2RAB9AKMT2ANPC1LMNA
SCHEMBL27772692 0.76 HDAC1 (0.37) MAPTALDH1A1RAB9AKMT2ANPC1
SCHEMBL964859 0.76 IRAK4 (0.35) RAB9AKMT2ANPC1

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 MAPT 4343/4885ALDH1A1 421/4885SMN1; SMN2 3745/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG MAPT 4720/4885ALDH1A1 821/4885SMN1; SMN2 4710/4885

“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.