SCHEMBL15940877

SCHEMBL15940877

COC(=O)[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.44
CTSK P43235 6/20 0.44
CTSB P07858 3/20 0.44
CTSL P07711 2/20 0.44
REN P00797 1/20 0.42
CAPN1 P07384 1/20 0.40
LDHA P00338 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
BACE1 P56817 2/20 0.39
MMP2 P08253 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL15940941 0.91 CTSL (0.54) CTSSCTSKCTSBCTSLREN
SCHEMBL31433016 0.79 MEN1 (0.50) LDHAALDH1A1LMNAMEN1KMT2A
SCHEMBL15941163 0.78 SMN1; SMN2 (0.53) CTSSCTSKCTSBCTSLALDH1A1
SCHEMBL15940809 0.77 KMT2A (0.47) LDHAALDH1A1LMNAMEN1KMT2A
SCHEMBL15941015 0.77 KMT2A (0.47) LDHAALDH1A1LMNAMEN1KMT2A
SCHEMBL2675118 0.75 ACE (0.56) CTSSCTSKCTSBCTSL
SCHEMBL2675114 0.75 ACE (0.56) CTSSCTSKCTSBCTSL
SCHEMBL1318454 0.75 CTSK (0.48) CTSSCTSKCTSBCTSLCAPN1
SCHEMBL19000135 0.75 CTSK (0.48) CTSSCTSKCTSBCTSLCAPN1
SCHEMBL6168773 0.75 CTSK (0.48) CTSSCTSKCTSBCTSLCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656949-B2 Substituted carboxylic acid derivatives as aggrecanase inhibitors for the treatment of osteoarthritis MERCK PATENT GMBH (DE) 2017-05-23 US disclosed
US-9656949-B2 Substituted carboxylic acid derivatives as aggrecanase inhibitors for the treatment of osteoarthritis MERCK PATENT GMBH (DE) 2017-05-23 US disclosed
EP-2953932-B1 SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AS AGGRECANASE INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2017-03-01 EP disclosed
EP-2953932-B1 SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AS AGGRECANASE INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2017-03-01 EP disclosed
US-20150368188-A1 SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AS AGGRECANASE INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-12-24 US disclosed
US-20150368188-A1 SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AS AGGRECANASE INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-12-24 US disclosed
EP-2953932-A1 SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AS AGGRECANASE INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS Merck Patent GmbH (DE) 2015-12-16 EP disclosed
WO-2014121884-A1 SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AS AGGRECANASE INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2014-08-14 WO disclosed
WO-2014121884-A1 SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AS AGGRECANASE INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2014-08-14 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 (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-20150368188-A1 SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AS AGGRECANASE INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS ADAMTS5, ADAMTS1, ADAMTS7 CTSS 154/4885CTSK 194/4885CTSB 202/4885

“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.