SCHEMBL2174152

SCHEMBL2174152

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(N)=S

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.64
CTSK P43235 7/20 0.64
CTSB P07858 3/20 0.64
CTSL P07711 1/20 0.64
ACE P12821 1/20 0.61
ATM Q13315 1/20 0.56
REN P00797 2/20 0.56
AKT1 P31749 1/20 0.56
KLK5 Q9Y337 1/20 0.54
PPARA Q07869 2/20 0.53
PPARG P37231 1/20 0.53
APP P05067 1/20 0.52

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
SCHEMBL6473855 1.00 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL793015 0.90 BCL2 (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL7618822 0.89 REN (0.67) CTSSCTSKCTSBCTSLACE
SCHEMBL6578977 0.89 CTSS (0.67) CTSSCTSKCTSBCTSLACE
SCHEMBL7433158 0.89 CTSS (0.67) CTSSCTSKCTSBCTSLACE
SCHEMBL2173588 0.89 REN (0.67) CTSSCTSKCTSBCTSLACE
SCHEMBL4420859 0.89 REN (0.67) CTSSCTSKCTSBCTSLACE
SCHEMBL19493093 0.88 CTSS (0.51) CTSSCTSKCTSBCTSLACE
SCHEMBL2328016 0.86 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL17742678 0.86 CTSS (0.67) CTSSCTSKCTSBCTSLACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2113513-B1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL (JP) 2016-05-18 EP disclosed
EP-1577323-B1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-07-10 EP disclosed
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
EP-1730128-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-12-13 EP disclosed
CN-1761680-A Metastin derivative and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-04-19 CN disclosed
WO-2005097765-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-10-20 WO disclosed
EP-1577323-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-09-21 EP 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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 CTSS 2542/4885CTSK 1072/4885CTSB 1370/4885

“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.