SCHEMBL6239549

SCHEMBL6239549

C[C@H]1CN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)[C@@H](C(=O)O)C(C)(C)O1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.60
ADAM17 P78536 9/20 0.60
MMP8 P22894 4/20 0.51
MMP13 P45452 4/20 0.51
MMP3 P08254 2/20 0.51
S1PR5 Q9H228 1/20 0.47

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
SCHEMBL7761385 1.00 MMP1 (0.60) MMP1ADAM17MMP8MMP13MMP3
SCHEMBL6237402 0.91 MMP1 (0.71) MMP1ADAM17MMP8MMP13MMP3
SCHEMBL6239380 0.84 MMP1 (0.58) MMP1ADAM17MMP8MMP13MMP3
SCHEMBL7765006 0.82 MMP1 (0.54) MMP1ADAM17MMP8MMP13MMP3
SCHEMBL6237732 0.82 MMP1 (0.54) MMP1ADAM17MMP8MMP13MMP3
SCHEMBL6241314 0.82 MMP1 (0.54) MMP1ADAM17MMP8MMP13MMP3
SCHEMBL6236919 0.82 MMP1 (0.54) MMP1ADAM17MMP8MMP13MMP3
SCHEMBL6238546 0.81 MMP1 (0.55) MMP1ADAM17MMP13
SCHEMBL7761414 0.81 MMP1 (0.55) MMP1ADAM17MMP13
SCHEMBL5756703 0.81 MMP1 (0.81) MMP1ADAM17MMP8MMP13MMP3

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 5 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
US-20030181441-A1 TACE INHIBITORS McCLURE Kim (US) 2003-09-25 US disclosed
EP-1104412-A1 TACE INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009492-A1 TACE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO 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-20030181441-A1 TACE INHIBITORS ADAMTS5, ADAMTS1, MMP2 MMP1 18/4885ADAM17 22/4885MMP8 20/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 MMP1 15/4885ADAM17 19/4885MMP8 13/4885

“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.