SCHEMBL6235947

SCHEMBL6235947

C[C@@H]1SCCN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)[C@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.58
ADAM17 P78536 10/20 0.58
MMP13 P45452 4/20 0.58
MMP8 P22894 4/20 0.52
MMP3 P08254 3/20 0.52
S1PR5 Q9H228 1/20 0.46
MMP9 P14780 1/20 0.45

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
SCHEMBL6240347 0.91 MMP1 (0.59) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6237846 0.90 MMP1 (0.70) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6238225 0.90 MMP1 (0.70) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL7764274 0.83 MMP1 (0.53) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6240405 0.82 MMP1 (0.56) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6383423 0.82 MMP1 (0.59) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6241058 0.81 MMP1 (0.71) MMP1ADAM17MMP13
SCHEMBL6237788 0.81 MMP1 (0.71) MMP1ADAM17MMP13
SCHEMBL6240997 0.81 MMP1 (0.63) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL27573429 0.81 ADAM17 (0.59) MMP1ADAM17MMP13MMP8MMP3

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-20050215549-A1 TACE inhibitors MCCLURE KIM F 2005-09-29 US disclosed
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP 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-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 MMP1 15/4885ADAM17 19/4885MMP13 34/4885

“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.