SCHEMBL2194308

SCHEMBL2194308

COc1ccc(S(=O)(=O)n2cc(CC(NC(=O)O)C(C)(C)C)c(F)c2-c2cccnc2F)nc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 6/20 0.37
MMP2 P08253 5/20 0.37
MMP8 P22894 4/20 0.37
MMP13 P45452 4/20 0.37
GSK3B P49841 1/20 0.34
NFE2L2 Q16236 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
GRM4 Q14833 1/20 0.32
KAT8 Q9H7Z6 1/20 0.31
KEAP1 Q14145 1/20 0.31
USP30 Q70CQ3 1/20 0.30
CACNA1I Q9P0X4 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
SCHEMBL2194706 0.91 GRM4 (0.33) GRM4
SCHEMBL2191180 0.89 MMP2 (0.36) MMP9MMP2MMP8MMP13GSK3B
SCHEMBL2410511 0.88 ABCC9 (0.33) MMP9MMP2MMP8MMP13GRM4
SCHEMBL2408852 0.86 NFE2L2 (0.33) MMP9MMP2MMP8MMP13NFE2L2
SCHEMBL2412351 0.86 MET (0.40) MMP9MMP2MMP8MMP13NFE2L2
SCHEMBL4570000 0.85 MMP2 (0.36) MMP9MMP2MMP8MMP13PTGDR2
SCHEMBL2192366 0.84 DCTPP1 (0.31) MMP9MMP2MMP8MMP13
SCHEMBL2197222 0.84
SCHEMBL2411398 0.84 SLC40A1 (0.31)
SCHEMBL2410111 0.84 DHODH (0.30)

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-20110172275-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 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-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S MMP9 3837/4885MMP2 4146/4885MMP8 4519/4885

“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.