SCHEMBL8230634

SCHEMBL8230634

CC[C@H](COS(C)(=O)=O)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
CTSK P43235 10/20 0.41
CTSS P25774 5/20 0.41
CA1 P00915 2/20 0.41
CA7 P43166 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 2/20 0.39
CA14 Q9ULX7 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL14910269 1.00 SYK (0.43) SYKCTSKCTSSCA1CA7
SCHEMBL5115701 1.00 SYK (0.43) SYKCTSKCTSSCA1CA7
SCHEMBL2013068 0.92 CA1 (0.44) SYKCTSKCTSSCA1CA7
SCHEMBL9971702 0.87 CA1 (0.39) SYKCTSKCTSSCA1CA7
SCHEMBL14842453 0.87 CA1 (0.38) SYKCTSKCTSSCA1CA7
SCHEMBL16808055 0.86 CA1 (0.40) SYKCTSKCTSSCA1CA7
SCHEMBL8076295 0.85 CTSK (0.48) CTSKCTSSCA1CA7CA12
SCHEMBL8076292 0.85 CTSK (0.48) CTSKCTSSCA1CA7CA12
SCHEMBL4945179 0.85 CA1 (0.39) SYKCTSKCTSSCA1CA7
SCHEMBL6333451 0.85 CA1 (0.39) SYKCTSKCTSSCA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-10053463-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2018-08-21 US disclosed
US-20160016962-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-21 US disclosed
EP-2970304-A1 P2X7 MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-01-20 EP disclosed
US-20150290190-A1 [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-10-15 US disclosed
US-9040534-B2 [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
WO-2014152537-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 WO disclosed
US-20140275096-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
US-20080269284-A1 Compounds and Methods for Treating Dyslipidemia ELI LILLY AND COMPANY (US) 2008-10-30 US disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 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 (7 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK SYK 1/4885CTSK 3872/4885CTSS 3435/4885
US-20140275096-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX2 SYK 1854/4885CTSK 1605/4885CTSS 2593/4885
US-20160016962-A1 P2X7 MODULATORS P2RX5, P2RX1, P2RX7 SYK 742/4885CTSK 346/4885CTSS 147/4885
US-20150290190-A1 [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS P2X7 MODULATORS P2RX7, P2RX5, P2RX2 SYK 1905/4885CTSK 1854/4885CTSS 3201/4885
US-10053463-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators HTR5A, P2RX5, P2RX3 SYK 732/4885CTSK 284/4885CTSS 176/4885
US-20080269284-A1 Compounds and Methods for Treating Dyslipidemia APOB, PCSK9, LIPC SYK 2659/4885CTSK 2003/4885CTSS 2337/4885
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT SYK 2554/4885CTSK 983/4885CTSS 2286/4885

“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.