SCHEMBL2194752

SCHEMBL2194752

Cc1ccc(S(=O)(=O)n2cc(CC(NC(=O)O)C(C)(C)C)c(F)c2-c2cccnc2F)cn1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
NAMPT P43490 4/20 0.31
CYP2C9 P11712 1/20 0.31
CCKAR P32238 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL2411039 0.92 ABCC9 (0.34) MMP2MMP9MMP8MMP13NAMPT
SCHEMBL4570000 0.91 MMP2 (0.36) MMP2MMP9MMP8MMP13NAMPT
SCHEMBL2409439 0.91 MMP2 (0.33) MMP2MMP9MMP8MMP13NAMPT
SCHEMBL2413757 0.89 SLC6A9 (0.35) MMP2MMP9MMP8MMP13NAMPT
SCHEMBL2192366 0.88 DCTPP1 (0.31) MMP2MMP9MMP8MMP13NAMPT
SCHEMBL2195124 0.88 RORC (0.32) MMP2MMP9MMP8MMP13NAMPT
SCHEMBL2409148 0.88 BRD4 (0.33) MMP2MMP9MMP8MMP13
SCHEMBL2193352 0.88 NAMPT (0.32) MMP2MMP9MMP8MMP13NAMPT
SCHEMBL2417224 0.87 JAK3 (0.34) NAMPT
SCHEMBL2415904 0.87 IDE (0.32) MMP2MMP9MMP8MMP13

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 MMP2 4146/4885MMP9 3837/4885MMP8 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.