SCHEMBL1509340

SCHEMBL1509340

Cc1ccccc1S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 3/20 0.63
MMP9 P14780 11/20 0.63
MMP8 P22894 4/20 0.63
MMP13 P45452 1/20 0.63
ADAMTS4 O75173 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.58
ITGA2 P17301 1/20 0.58
SLC1A3 P43003 1/20 0.56
SLC1A2 P43004 1/20 0.56
SLC1A1 P43005 1/20 0.56
MMP2 P08253 10/20 0.51
ALDH1A1 P00352 1/20 0.49
CYP2C19 P33261 1/20 0.49
MMP12 P39900 3/20 0.47
MMP14 P50281 3/20 0.47
CASP1 P29466 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
SCHEMBL1509337 1.00 ITGAV (0.63) ITGAVMMP9MMP8MMP13ADAMTS4
SCHEMBL6669839 0.86 ITGAV (0.66) ITGAVMMP9MMP8MMP13ADAMTS4
SCHEMBL6669846 0.86 ITGAV (0.66) ITGAVMMP9MMP8MMP13ADAMTS4
SCHEMBL600044 0.85 ITGAV (0.62) ITGAVMMP9MMP8MMP13ADAMTS4
SCHEMBL3898279 0.84 ITGAV (0.67) ITGAVMMP9L3MBTL1ITGA2SLC1A3
SCHEMBL27692486 0.84 ITGAV (0.67) ITGAVMMP13L3MBTL1ITGA2SLC1A3
SCHEMBL457771 0.83 MMP9 (0.65) ITGAVMMP9MMP8MMP13ADAMTS4
SCHEMBL6670956 0.82 POLB (0.66) ITGAVMMP9MMP13ADAMTS4L3MBTL1
SCHEMBL5502394 0.82 POLB (0.66) ITGAVMMP9MMP13ADAMTS4L3MBTL1
SCHEMBL3969622 0.82 ALDH1A1 (0.71) ITGAVMMP9MMP13L3MBTL1ITGA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457487-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE CIS-PIPERIDINE DERIVATIVES Toray Fine Chemicals Co., Ltd. (JP) 2004-09-15 EP claimed
US-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TORAY FINE CHEMICALS CO., LTD., A CORPORATION OF JAPAN, (JP) 2004-09-02 US claimed
EP-2291077-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS Inspire Pharmaceuticals, Inc. (US) 2011-03-09 EP disclosed
WO-2009154940-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed
EP-1457487-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE CIS-PIPERIDINE DERIVATIVES Toray Fine Chemicals Co., Ltd. (JP) 2004-09-15 EP disclosed
US-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TORAY FINE CHEMICALS CO., LTD., A CORPORATION OF JAPAN, (JP) 2004-09-02 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-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TYR, DDC, TARBP1 ITGAV 4557/4885MMP9 1373/4885MMP8 2925/4885

“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.