SCHEMBL5115435

SCHEMBL5115435

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.38
OXER1 Q8TDS5 1/20 0.36
MCL1 Q07820 3/20 0.35
TP53 P04637 1/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G4A P47712 2/20 0.33
PPARG P37231 1/20 0.33
CDC7 O00311 1/20 0.32
CDK2 P24941 1/20 0.32
ROCK1 Q13464 1/20 0.32
MAP3K14 Q99558 1/20 0.32
GALR3 O60755 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL4570493 0.92 PHGDH (0.36) OXER1MCL1TP53RAB9ANPC1
SCHEMBL966058 0.89 TP53 (0.38) KMOMCL1TP53RAB9ALMNA
SCHEMBL4554438 0.88 MAPK8 (0.35) MCL1TP53RAB9ALMNAHTT
SCHEMBL963019 0.87 TP53 (0.37) MCL1TP53RAB9ALMNANPC1
SCHEMBL5115230 0.87 MTNR1A (0.39) MCL1TP53LMNAKMT2ASMN1; SMN2
SCHEMBL4553762 0.86 AGTR2 (0.37) MCL1PPARG
SCHEMBL963617 0.86 FBP1 (0.39) TP53RAB9ANPC1KMT2A
SCHEMBL5119374 0.86 CDC7 (0.35) MCL1PTGDR2ALDH1A1PPARGCDC7
SCHEMBL4554505 0.86 NPY5R (0.34) MCL1TP53RAB9ALMNAHTT
SCHEMBL962365 0.85 CDK2 (0.37) KMOTP53RAB9ALMNANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 KMO 2158/4885OXER1 2529/4885MCL1 3194/4885

“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.