SCHEMBL4697609

SCHEMBL4697609

CC(C)(C)OC(=O)Nc1ccc(C(=O)O)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
ATR Q13535 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
ACLY P53396 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
CYP2D6 P10635 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PSMB8 P28062 1/20 0.43
CYP17A1 P05093 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL30640612 0.88 MAPT (0.54) CA12CA1CA9SMN1; SMN2KDM4E
SCHEMBL1854623 0.88 MAPT (0.54) CA12CA1CA9SMN1; SMN2KDM4E
SCHEMBL16412251 0.86 KDM4E (0.49) CA12CA1CA9KDM4EMAPT
SCHEMBL16303890 0.84 EPHX1 (0.58) CA12CA1CA9KDM4EMAPT
SCHEMBL10033270 0.84 SMN1; SMN2 (0.50) SMN1; SMN2TSHRCASP1ACLYKDM4E
SCHEMBL2187189 0.84 KMT2A (0.54) CA12CA1CA9SMN1; SMN2TSHR
SCHEMBL509152 0.84 CA12 (0.53) CA12CA1CA9KDM4EMAPT
SCHEMBL30338918 0.84 KMT2A (0.54) CA12CA1CA9SMN1; SMN2TSHR
SCHEMBL24168682 0.83 ATR (0.44) CA12CA1CA9ATRMEN1
SCHEMBL30334730 0.83 ATR (0.44) CA12CA1CA9ATRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966222-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
WO-2007059341-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 WO disclosed
WO-2007059341-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 WO disclosed
CN-1301964-C Inhibitors of alpha 4-mediated cell adhesion TANABE SEIYAKU CO (JP) 2007-02-28 CN disclosed
EP-1049662-B1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2006-06-21 EP disclosed
US-6855843-B2 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-02-15 US disclosed
US-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-10-09 US disclosed
US-6541477-B2 Treating inflammation and cardiac conditions with compositions containing acylated piperazine or piperidine rings coupled to phenyl and other aryl groups, such a furan or thiophene SCIOS, INC. 2003-04-01 US disclosed
US-6521666-B1 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-02-18 US disclosed
US-20020115671-A1 Inhibitors of p38-a kinase SCIOS, INC. 2002-08-22 US disclosed
US-6410540-B1 HEART AND KIDNEY DISEASES; ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-06-25 US disclosed
WO-2001064676-A2 INHIBITORS OF p38-α KINASE SCIOS, INC. (US) 2001-09-07 WO disclosed
EP-1107758-A2 USE OF PIPERIDINES AND/OR PIPERAZINES AS INHIBITORS OF P38-ALPHA KINASE SCIOS INC. (US) 2001-06-20 EP disclosed
CN-1288457-A Inhibitors of & alpha, 4 mediated cell adhesion TANABE SEIYAKU CO (JP) 2001-03-21 CN disclosed
EP-1049662-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-11-08 EP disclosed
WO-2000012074-A2 USE OF PIPERIDINES AND/OR PIPERAZINES AS INHIBITORS OF P38-ALPHA KINASE SCIOS INC. (US) 2000-03-09 WO disclosed
WO-1999036393-A1 INHIBITORS OF α4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1999-07-22 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 (3 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-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion ITGB4, ITGA4, VCAM1 CA12 3199/4885CA1 1768/4885CA9 1948/4885
US-20020115671-A1 Inhibitors of p38-a kinase MAPK1, MAP3K1, MAP3K6 CA12 4725/4885CA1 2028/4885CA9 4311/4885
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators MAP4K2, MAP4K5, MAP4K3 CA12 4742/4885CA1 4771/4885CA9 4639/4885

“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.