SCHEMBL963060

SCHEMBL963060

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CCS(=O)(=O)NC(=O)NCC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
MCL1 Q07820 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLA2G4A P47712 3/20 0.32
OXER1 Q8TDS5 1/20 0.32
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31
PHGDH O43175 3/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
FGFR3 P22607 1/20 0.30
KDR P35968 1/20 0.30
LMNA P02545 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
SCHEMBL963610 0.93 IRAK4 (0.35) TP53RAB9ANPC1KMT2AIRAK4
SCHEMBL968367 0.91 TP53 (0.35) TP53RAB9ANPC1KMT2AIRAK4
SCHEMBL4554288 0.88 TP53 (0.38) TP53RAB9ANPC1KMT2AMCL1
SCHEMBL964859 0.88 IRAK4 (0.35) TP53RAB9ANPC1KMT2AIRAK4
SCHEMBL4570493 0.87 PHGDH (0.36) TP53RAB9ANPC1KMT2AMCL1
SCHEMBL964880 0.87 TP53 (0.37) TP53RAB9ANPC1KMT2AMCL1
SCHEMBL4553883 0.86 SMN1; SMN2 (0.33) TP53RAB9AKMT2AIRAK4MCL1
SCHEMBL963748 0.86 FBP1 (0.39) TP53RAB9ANPC1KMT2AMCL1
SCHEMBL963812 0.86 TP53 (0.37) TP53RAB9ANPC1KMT2AIRAK4
SCHEMBL4554828 0.83 AGTR2 (0.38) MCL1SMN1; SMN2PLA2G4APHGDH

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 TP53 2149/4885RAB9A 2378/4885NPC1 441/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG TP53 1057/4885RAB9A 2322/4885NPC1 1538/4885

“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.