SCHEMBL13293190

SCHEMBL13293190

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.49
▸ CTSS P25774 5/20 0.49
▸ CTSL P07711 1/20 0.49
▸ CTSB P07858 1/20 0.49
▸ FOLH1 Q04609 2/20 0.46
▸ NAALAD2 Q9Y3Q0 2/20 0.46
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ PPARA Q07869 6/20 0.43
▸ PPARG P37231 5/20 0.43
▸ CAPN1 P07384 1/20 0.43
▸ ACE P12821 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PPARD Q03181 2/20 0.41

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
SCHEMBL28804956 0.92 CTSK (0.50) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL19000135 0.90 CTSK (0.48) CTSKCTSSCTSLCTSBCA1
SCHEMBL6168769 0.90 CTSK (0.48) CTSKCTSSCTSLCTSBCA1
SCHEMBL13621256 0.90 CTSK (0.48) CTSKCTSSCTSLCTSBCA1
SCHEMBL6168773 0.90 CTSK (0.48) CTSKCTSSCTSLCTSBCA1
SCHEMBL1318454 0.90 CTSK (0.48) CTSKCTSSCTSLCTSBCA1
SCHEMBL13263380 0.89 NAALAD2 (0.59) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL20745305 0.89 NAALAD2 (0.59) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL7066210 0.89 NAALAD2 (0.59) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL1319454 0.89 NAALAD2 (0.59) CTSKCTSSCTSLCTSBFOLH1

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
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
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
US-20100152452-A1 STEREOSELECTIVE SYNTHESIS OF PIPERIDINE DERIVATIVES TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2010-06-17 — — 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 (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-20100152452-A1 STEREOSELECTIVE SYNTHESIS OF PIPERIDINE DERIVATIVES DHPS, AZI2, DPYD CTSK 4224/4885CTSS 3427/4885CTSL 4585/4885
US-20150368188-A1 SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AS AGGRECANASE INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS ADAMTS5, ADAMTS1, ADAMTS7 CTSK 194/4885CTSS 154/4885CTSL 221/4885

“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.

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