SCHEMBL4771298

SCHEMBL4771298

O=[C]NCc1ccc(CC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52
AKR1B1 P15121 1/20 0.50
FFAR1 O14842 2/20 0.49
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 2/20 0.48
ABCC4 O15439 1/20 0.48
PTGS1 P23219 1/20 0.48
HTT P42858 1/20 0.48
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
RORC P51449 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 3/20 0.43
NSD2 O96028 1/20 0.43

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
SCHEMBL4720670 0.80 KMT2A (0.56) TSHREPHX2NR1H4ALDH1A1HPGD
SCHEMBL4765884 0.79 CYP4F2 (0.56) LMNAGAAALDH1A1HPGDMEN1
SCHEMBL69614 0.78 CA2 (0.79) CA2CAMK2AAKR1B1FFAR1LMNA
SCHEMBL5221613 0.77 ESR1 (0.44) CA2CAMK2AGAAALDH1A1HPGD
SCHEMBL27353 0.76 CA2 (0.48) CA2GAAALDH1A1HPGDHSD17B10
SCHEMBL10065854 0.75 CA2 (0.56) CA2CAMK2AAKR1B1FFAR1LMNA
Hydrochloric Acid SCHEMBL25180348 0.75 CA2 (0.75) CA2CAMK2AAKR1B1FFAR1LMNA
Hydrochloric Acid SCHEMBL6765874 0.75 CA2 (0.75) CA2CAMK2AAKR1B1FFAR1LMNA
SCHEMBL3306119 0.74 EPHX2 (0.49) TSHREPHX2NR1H4ALDH1A1HSD17B10
SCHEMBL5451692 0.73 LMNA (0.49) CA2FFAR1LMNAGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592689-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-12-24 EP claimed
US-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 US claimed
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-04-06 US claimed
EP-1592689-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-11-09 EP claimed
WO-2004069162-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-08-19 WO claimed
EP-1592689-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-12-24 EP disclosed
US-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 US disclosed
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-04-06 US disclosed
EP-1592689-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-11-09 EP disclosed
WO-2004069162-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-08-19 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 (1 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-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 CA2 430/4885CAMK2A 2549/4885AKR1B1 737/4885

“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.