SCHEMBL4585593

SCHEMBL4585593

CC(C)(C)OC(=O)C[C@H](Cc1csc2ccccc12)C(=O)N1C(=O)OCC1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PPARA Q07869 3/20 0.36
OPRD1 P41143 1/20 0.36
DPP4 P27487 2/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
CASP1 P29466 1/20 0.34
USP2 O75604 1/20 0.34
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PPARG P37231 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G5 P39877 1/20 0.33
MC4R P32245 1/20 0.33
TACR1 P25103 1/20 0.33
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MMP2 P08253 1/20 0.32

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
SCHEMBL13052617 1.00 CTSL (0.40) CTSLCTSSCTSKPPARAOPRD1
SCHEMBL3603265 1.00 CTSL (0.40) CTSLCTSSCTSKPPARAOPRD1
SCHEMBL3600897 0.87 CTSL (0.40) CTSLCTSSCTSKPPARAOPRD1
SCHEMBL3600892 0.87 CTSL (0.40) CTSLCTSSCTSKPPARAOPRD1
SCHEMBL3600894 0.87 CTSL (0.40) CTSLCTSSCTSKPPARAOPRD1
SCHEMBL17447939 0.86 PPARA (0.41) PPARAUSP2CSNK2BCSNK2A1PLA2G10
SCHEMBL21978242 0.86 PPARA (0.41) PPARAUSP2CSNK2BCSNK2A1PLA2G10
SCHEMBL21978244 0.86 PPARA (0.41) PPARAUSP2CSNK2BCSNK2A1PLA2G10
SCHEMBL27513102 0.86 PPARA (0.41) PPARAUSP2CSNK2BCSNK2A1PLA2G10
SCHEMBL7377952 0.86 PPARA (0.41) PPARAUSP2CSNK2BCSNK2A1PLA2G10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
EP-1742971-A4 N-ACYLATED CHITINOUS POLYMERS AND METHODS OF USE THEREOF CHITOGENICS INC (US) 2008-07-30 EP disclosed
EP-1689493-A4 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-04-23 EP disclosed
US-7314883-B2 Anti-migraine treatments BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US disclosed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US disclosed
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 US disclosed
EP-1742971-A2 N-ACYLATED CHITINOUS POLYMERS AND METHODS OF USE THEREOF Chitogenics, Inc. (US) 2007-01-17 EP disclosed
EP-1689493-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2006-08-16 EP disclosed
WO-2005094278-A3 N-ACYLATED CHITINOUS POLYMERS AND METHODS OF USE THEREOF CHITOGENICS INC (US) 2006-07-13 WO disclosed
WO-2005094278-A2 N-ACYLATED CHITINOUS POLYMERS AND METHODS OF USE THEREOF CHITOGENICS, INC. (US) 2005-10-13 WO disclosed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO disclosed
EP-1539766-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-06-15 EP disclosed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2003104236-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-18 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 (4 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-20040063735-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR CTSL 839/4885CTSS 531/4885CTSK 580/4885
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH CTSL 1017/4885CTSS 474/4885CTSK 400/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL CTSL 1187/4885CTSS 570/4885CTSK 511/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR CTSL 839/4885CTSS 531/4885CTSK 580/4885

“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.