SCHEMBL2958129

SCHEMBL2958129

CC(NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.62
POLB P06746 1/20 0.58
CTSK P43235 5/20 0.57
CTSL P07711 3/20 0.55
CTSS P25774 3/20 0.55
CTSB P07858 2/20 0.55
ATM Q13315 1/20 0.54
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
CTRB1 P17538 2/20 0.51
ELANE P08246 1/20 0.51

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
SCHEMBL2958133 1.00 SYK (0.62) SYKPOLBCTSKCTSLCTSS
SCHEMBL29233251 0.95 SYK (0.60) SYKPOLBCTSKCTSLCTSS
SCHEMBL29813564 0.95 SYK (0.60) SYKPOLBCTSKCTSLCTSS
SCHEMBL17616879 0.95 SYK (0.60) SYKPOLBCTSKCTSLCTSS
SCHEMBL17616957 0.95 SYK (0.60) SYKPOLBCTSKCTSLCTSS
SCHEMBL30407619 0.95 SYK (0.60) SYKPOLBCTSKCTSLCTSS
SCHEMBL25130169 0.89 SYK (0.57) SYKPOLBCTSKCTSLCTSS
SCHEMBL25908075 0.89 SYK (0.57) SYKPOLBCTSKCTSLCTSS
SCHEMBL7512116 0.89 POLB (0.58) SYKPOLBCTSKCTSLCTSS
SCHEMBL648574 0.89 POLB (0.58) SYKPOLBCTSKCTSLCTSS

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-7763621-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2010-07-27 US disclosed
US-7582640-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2009-09-01 US disclosed
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS 2009-06-11 US disclosed
US-20060052398-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS NV (BE) 2006-03-09 US disclosed
US-5348953-A Elastase inhibitor MERCK & CO., INC. (US) 1994-09-20 US disclosed
WO-1994013636-A1 NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1994-06-23 WO disclosed
CN-1068815-A Be used as the new substituted azetidinone of anti-inflammatory and antidegenerative agent MERCK & CO INC (US) 1993-02-10 CN disclosed
EP-0525973-A2 Substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO. INC. (US) 1993-02-03 EP disclosed
WO-1993000332-A1 SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1993-01-07 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-20060052398-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same ADGRF1, C5AR2, ADGRE5 SYK 2139/4885POLB 4794/4885CTSK 1391/4885
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same ADGRF1, C5AR2, ADGRE5 SYK 2139/4885POLB 4794/4885CTSK 1391/4885

“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.