SCHEMBL7205544

SCHEMBL7205544

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
CA2 P00918 10/20 0.54
CA1 P00915 9/20 0.54
CA12 O43570 5/20 0.54
CA9 Q16790 5/20 0.54
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
USP30 Q70CQ3 4/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL7205538 1.00 SMN1; SMN2 (0.54) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL7205323 0.89 MMP9 (0.55) MMP9MMP8MMP14
SCHEMBL7205316 0.89 MMP9 (0.55) MMP9MMP8MMP14
Hydrochloric Acid SCHEMBL7208324 0.86 MMP9 (0.48) MMP9MMP8MMP14
Hydrochloric Acid SCHEMBL7208321 0.86 MMP9 (0.48) MMP9MMP8MMP14
SCHEMBL7202948 0.86 MMP9 (0.50) MMP9MMP8MMP14
SCHEMBL7205260 0.86 MMP9 (0.50) MMP9MMP8MMP14
SCHEMBL7202940 0.86 MMP9 (0.50) MMP9MMP8MMP14
SCHEMBL7205257 0.86 MMP9 (0.50) MMP9MMP8MMP14
SCHEMBL7210401 0.86 CA2 (0.48) CA2CA1CA12CA9CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921122-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2003-05-21 EP disclosed
US-6110967-A USEFUL AS AGENTS FOR PREVENTING AND TREATING METABOLIC OSTEOPATHY SUCH AS OSTEOPOROSIS, HYPERCALCEMIA AND BONE METASTASIS OF CANCER BECAUSE THEY SPECIFICALLY INHIBITS CATHEPSIN L AND ITS FAMILY ENZYMES TO INHIBIT BONE RESORPTION TAIHO PHARMACEUTICALS CO., LTD. (JP) 2000-08-29 US disclosed
EP-0921122-A1 NOVEL EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-06-09 EP disclosed