SCHEMBL4396691

SCHEMBL4396691

C=CCC(N)(Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
HIF1A Q16665 1/20 0.55
ARG1 P05089 2/20 0.51
ARG2 P78540 2/20 0.51
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.47
CYP2C19 P33261 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 2/20 0.44
SLC6A2 P23975 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
BLM P54132 1/20 0.38
KMT2A Q03164 2/20 0.37
FDPS P14324 1/20 0.37
CYP1A2 P05177 2/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL4396692 1.00 SMN1; SMN2 (0.55) SMN1; SMN2HIF1AARG1ARG2ALDH1A1
Hydrochloric Acid SCHEMBL4398176 0.98 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AARG1ARG2ALDH1A1
Hydrochloric Acid SCHEMBL4398174 0.98 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AARG1ARG2ALDH1A1
SCHEMBL9551389 0.88 HTT (0.54) SMN1; SMN2HIF1AARG1ARG2ALDH1A1
SCHEMBL9551388 0.88 HTT (0.54) SMN1; SMN2HIF1AARG1ARG2ALDH1A1
SCHEMBL12583561 0.87 SMN1; SMN2 (0.47) SMN1; SMN2HIF1AARG1ARG2ALDH1A1
SCHEMBL8351006 0.83 SMN1; SMN2 (0.69) SMN1; SMN2HIF1AARG1ARG2TSHR
SCHEMBL27420773 0.83 ALDH1A1 (0.46) SMN1; SMN2HIF1AARG1ARG2ALDH1A1
SCHEMBL8903660 0.79 SMN1; SMN2 (0.51) SMN1; SMN2HIF1AARG1ARG2ALDH1A1
SCHEMBL28910344 0.79 PPARA (0.42) ARG1ARG2ALDH1A1TSHRCYP2C19

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 31 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-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
US-5268476-A Substituted 10bH-oxazolo[3,2-c] [1,3] benzoxazine-2(3H), 5-diones ABBOTT LABORATORIES (US) 1993-12-07 US disclosed
US-5164388-A Hypotensive agents, treatment of congestive heart failure ABBOTT LABORATORIES (US) 1992-11-17 US disclosed
US-5153358-A Process for the preparation of alpha-alkylated alpha-amino acids and alpha-halogenated alpha-amino acids ABBOTT LABORATORIES (US) 1992-10-06 US disclosed
EP-0439556-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
WO-1990004917-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-05-17 WO disclosed
EP-0365992-A1 Heterocyclic peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-05-02 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 (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 SMN1; SMN2 2257/4885HIF1A 512/4885ARG1 2913/4885
US-20030191109-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MICA, BMX, CD74 SMN1; SMN2 2466/4885HIF1A 1268/4885ARG1 1596/4885
US-20060276408-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins SERPINB1, SERPINE1, SERPINA2 SMN1; SMN2 1259/4885HIF1A 1965/4885ARG1 1345/4885

“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.