SCHEMBL4399136

SCHEMBL4399136

C=CC[C@@](Cc1ccccc1)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
AKT1 P31749 3/20 0.41
CTSS P25774 5/20 0.41
CTSK P43235 3/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
ATM Q13315 1/20 0.40
ACE P12821 1/20 0.40
IDO1 P14902 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4399131 1.00 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL8225007 0.90 MAPT (0.52) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL6062430 0.88 CA12 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL6062427 0.88 CA12 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9457600 0.88 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9457593 0.88 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL2711160 0.88 CA12 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL2726872 0.84 CTSS (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL2726873 0.84 CTSS (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL2726870 0.84 CTSS (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19CA12

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511039-B2 β-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INC. (US) 2009-03-31 US disclosed
US-20060293372-A1 Beta-sheet mimetics and methods relating to the use thereof MYRIAD GENETICS, INC. (US) 2006-12-28 US disclosed
US-20060276408-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INCORPORATED (US) 2006-12-07 US disclosed
US-7125872-B2 β-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INC. (US) 2006-10-24 US disclosed
EP-1661566-A2 Use of beta-sheet mimetics as protease and kinase inhibitors and as inhibitors of transcription factors MYRIAD GENETICS, INC. (US) 2006-05-31 EP disclosed
EP-0915700-B1 USE OF BETA-SHEET MIMETICS AS PROTEASE AND KINASE INHIBITORS AND AS INHIBITORS OF TRANSCRIPTION FACTORS MYRIAD GENETICS INC (US) 2006-03-22 EP disclosed
US-20040230035-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INC. (US) 2004-11-18 US disclosed
US-6699869-B1 PROTEASE INHIBITORS, ANTICOAGULANT MYRIAD GENETICS INC. 2004-03-02 US disclosed
US-20030191109-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins KAHN MICHAEL (US) 2003-10-09 US disclosed
US-6586426-B1 Pyrrolizine derivatives; thrombin, elastase, and factor X inhibitors MOLECUMETICS LTD. 2003-07-01 US disclosed
EP-1053246-B1 BETA-SHEET MIMETICS AND METHODS RELATING TO THE USE THEREOF MOLECUMETICS LTD (US) 2003-01-02 EP disclosed
US-6372744-B1 PROTEASE OR KINASE INHIBITORS MOLECUMETICS LTD. 2002-04-16 US disclosed
EP-0815123-B1 BETA-SHEET MIMETICS AND USE THEREOF AS PROTEASE INHIBITORS MOLECUMETICS LTD (US) 2001-10-04 EP disclosed
US-6245764-B1 PROTEASE INHIBITORS; ANTICANCER AGENTS; IMMUNOLOGY CONTROLLERS; ANTIINFLAMMATORY AGENTS MOLECUMETICS LTD. 2001-06-12 US disclosed
US-6117896-A Methods for regulating transcription factors MOLECUMETICS LTD. (US) 2000-09-12 US disclosed
US-6020331-A β-sheet mimetics and use thereof as protease inhibitors MOLECUMETICS, LTD. (US) 2000-02-01 US disclosed
EP-0817642-A1 $g(b)-SHEET MIMETICS AND USE THEREOF AS INHIBITORS OF BIOLOGICALLY ACTIVE PEPTIDES OR PROTEINS MOLECUMETICS, LTD. (US) 1998-01-14 EP disclosed
EP-0815123-A1 $g(b)-SHEET MIMETICS AND USE THEREOF AS PROTEASE INHIBITORS MOLECUMETICS, LTD. (US) 1998-01-07 EP disclosed
WO-1996030396-A1 β-SHEET MIMETICS AND USE THEREOF AS PROTEASE INHIBITORS MOLECUMETICS LTD. (US) 1996-10-03 WO disclosed
WO-1996030035-A1 β-SHEET MIMETICS AND USE THEREOF AS INHIBITORS OF BIOLOGICALLY ACTIVE PEPTIDES OR PROTEINS MOLECUMETICS LTD. (US) 1996-10-03 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-20060293372-A1 Beta-sheet mimetics and methods relating to the use thereof SERBP1, PACSIN2, HGFAC ALDH1A1 4694/4885CYP3A4 4684/4885CYP2C9 4880/4885
US-20030191109-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MICA, BMX, CD74 ALDH1A1 4307/4885CYP3A4 4834/4885CYP2C9 4680/4885
US-20060276408-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins SERPINB1, SERPINE1, SERPINA2 ALDH1A1 4098/4885CYP3A4 4231/4885CYP2C9 4515/4885

“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.