SCHEMBL5115701

SCHEMBL5115701

CCC(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
SCHEMBL8230634 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718631-B2 Sulphonamides and compositions thereof for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-08-08 US disclosed
US-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-07-18 US disclosed
US-20230146239-A1 GUANIDINE-MODIFIED C-TERMINUS VANCOMYCIN COMPOUNDS, COMPOSITIONS AND METHODS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-05-11 US disclosed
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
US-6706881-B2 4-(METHOXYCARBONYL-AMINO)-2-ETHYL-6-TRIFLUOROMETHYL-3,4-DIHYDRO -2H-QUINOLINE-1-CARBOXYLIC ACID ETHYL ESTER IS REACTED WITH 3,5-BIS(TRIFLUOROMETHYL)BENZYL HALIDE IN BASE; ALKYLATION PFIZER, INC. 2004-03-16 US disclosed
US-6689897-B2 CHOLESTERYL ESTER TRANSFER PROTEIN PFIZER INC. 2004-02-10 US disclosed
EP-1383734-A2 COMPOUNDS USEFUL AS INTERMEDIATES FOR 4-AMINOQUINOLINE DERIVATIVES Pfizer Products Inc. (US) 2004-01-28 EP disclosed
WO-2002088069-A9 COMPOUNDS USEFUL AS INTERMEDIATES FOR 4-AMINOQUINOLINE DERIVATIVES PFIZER PROD INC (US) 2003-12-04 WO disclosed
US-20030216576-A1 Methods for preparing CETP inhibitors PFIZER INC. 2003-11-20 US disclosed
US-6600045-B2 This invention relates to methods for preparing certain cholesteryl ester transfer protein (CETP) inhibitors and intermediates useful in the preparation of said CETP inhibitors. PFIZER INC. 2003-07-29 US disclosed
US-20030073843-A1 Methods for preparing CETP inhibitors DAMON DAVID B (US) 2003-04-17 US disclosed
US-20020177716-A1 Intermediates of CETP inhibitors DAMON DAVID B (US) 2002-11-28 US disclosed
WO-2002088069-A2 COMPOUNDS USEFUL AS INTERMEDIATES FOR 4-AMINOQUINOLINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-11-07 WO disclosed
WO-2002088085-A2 METHODS AND INTERMEDIATES FOR PREPARING 4-AMINOQUINOLINE CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2002-11-07 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 (9 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-20030216576-A1 Methods for preparing CETP inhibitors CETP, LCAT, MTTP SYK 4353/4885CTSK 570/4885CTSS 400/4885
US-20160016962-A1 P2X7 MODULATORS P2RX5, P2RX1, P2RX7 SYK 742/4885CTSK 346/4885CTSS 147/4885
US-11718631-B2 Sulphonamides and compositions thereof for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 SYK 201/4885CTSK 1998/4885CTSS 1752/4885
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-20230146239-A1 GUANIDINE-MODIFIED C-TERMINUS VANCOMYCIN COMPOUNDS, COMPOSITIONS AND METHODS RNMT, RNGTT, CAPG SYK 4313/4885CTSK 2249/4885CTSS 3005/4885
US-20030073843-A1 Methods for preparing CETP inhibitors CETP, LCAT, MTTP SYK 4353/4885CTSK 570/4885CTSS 400/4885
US-20020177716-A1 Intermediates of CETP inhibitors CETP, LCAT, MTTP SYK 4471/4885CTSK 362/4885CTSS 379/4885
US-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 SYK 1777/4885CTSK 1276/4885CTSS 1078/4885

“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.