SCHEMBL4387860

SCHEMBL4387860

COC[C@H](NC(=O)OCc1ccccc1)C(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.64
KYNU Q16719 1/20 0.63
ALDH1A1 P00352 1/20 0.61
ALOX15 P16050 1/20 0.61
CTSS P25774 5/20 0.60
CTSL P07711 4/20 0.60
CTSB P07858 3/20 0.60
CAPN1 P07384 1/20 0.57
TACR1 P25103 2/20 0.56

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
SCHEMBL527103 1.00 CTSK (0.64) CTSKKYNUALDH1A1ALOX15CTSS
SCHEMBL527104 1.00 CTSK (0.64) CTSKKYNUALDH1A1ALOX15CTSS
SCHEMBL1643831 0.91 CTSK (0.60) CTSKKYNUALDH1A1ALOX15CTSS
SCHEMBL1643830 0.91 CTSK (0.60) CTSKKYNUALDH1A1ALOX15CTSS
SCHEMBL526571 0.91 CTSK (0.60) CTSKKYNUALDH1A1ALOX15CTSS
SCHEMBL28162782 0.91 KYNU (0.60) CTSKKYNUALDH1A1ALOX15CTSS
SCHEMBL5191992 0.91 KYNU (0.60) CTSKKYNUALDH1A1ALOX15CTSS
SCHEMBL16351361 0.90 KYNU (0.62) CTSKKYNUALDH1A1ALOX15CTSS
SCHEMBL18075229 0.89 CTSK (0.65) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL18075231 0.89 CTSK (0.65) CTSKCTSSCTSLCTSBCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
EP-2763975-B1 3-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2016-04-06 EP disclosed
US-8987456-B2 3-pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-20140303206-A1 3-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-10-09 US disclosed
EP-2763975-A1 3-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (Syk) INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-08-13 EP disclosed
WO-2013052393-A1 3-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (Syk) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-04-11 WO disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 CTSK 371/4885KYNU 1372/4885ALDH1A1 3776/4885
US-20140303206-A1 3-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK CTSK 757/4885KYNU 709/4885ALDH1A1 2937/4885

“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.