SCHEMBL543973

SCHEMBL543973

N=C(N)NCCC[C@@H](NC(=O)CBr)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 3/20 0.44
GNPAT O15228 1/20 0.41
NOD1 Q9Y239 6/20 0.40
EPHX2 P34913 1/20 0.40
FOLH1 Q04609 1/20 0.38
SHMT1 P34896 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
NPY4R P50391 1/20 0.37
NPY5R Q15761 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
ALOX15 P16050 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL9453833 0.94 NPY4R (0.43) C3AR1GNPATNOD1NPY1RNPY2R
SCHEMBL8721756 0.92 C3AR1 (0.41) C3AR1GNPATNOD1EPHX2FOLH1
SCHEMBL16554268 0.87 NPY4R (0.41) C3AR1NOD1NPY1RNPY2RNPY4R
SCHEMBL2116832 0.86 C3AR1 (0.45) C3AR1GNPATNOD1EPHX2FOLH1
SCHEMBL29744957 0.86 C3AR1 (0.45) C3AR1GNPATNOD1EPHX2FOLH1
SCHEMBL24961322 0.86 GNPAT (0.45) C3AR1GNPATNOD1EPHX2FOLH1
SCHEMBL29476474 0.86 C3AR1 (0.45) C3AR1GNPATNOD1EPHX2FOLH1
SCHEMBL187696 0.86 C3AR1 (0.45) C3AR1GNPATNOD1EPHX2FOLH1
SCHEMBL4647818 0.86 C3AR1 (0.45) C3AR1GNPATNOD1EPHX2FOLH1
SCHEMBL12971304 0.85 C3AR1 (0.43) C3AR1GNPATNOD1EPHX2FOLH1

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-8110348-B2 Methods and compositions for the diagnosis and treatment of schizophrenia NIH - DEITR 2012-02-07 US disclosed
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed
US-20090215877-A1 Methods and Compositions for the Diagnosis and Treatment of Schizophrenia NIH - DEITR 2009-08-27 US disclosed
US-6958402-B2 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER, INC. (US) 2005-10-25 US disclosed
US-6949577-B2 Pharmaceuticals PFIZER, INC. (US) 2005-09-27 US disclosed
US-6919457-B2 3-(imidazolyl)-2-aminopropanoic acids PFIZER, INC. (US) 2005-07-19 US disclosed
US-20040254164-A1 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER INC. (US) 2004-12-16 US disclosed
EP-1467732-A1 3-(IMIDAZOLYL)-2-AMINOPROPANOIC ACIDS FOR USE AS TAFI-A INHIBITORS FOR THE TREATMENT OF THROMBOTIC DISEASES Pfizer Limited (GB) 2004-10-20 EP disclosed
EP-1467731-A1 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIC ACIDS AS TAFIA INHIBITORS Pfizer Limited (GB) 2004-10-20 EP disclosed
US-20040192668-A1 3-(imidazolyl)-2-aminopropanoic acids PFIZER INC 2004-09-30 US disclosed
US-6713496-B2 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER INC 2004-03-30 US disclosed
US-20030236420-A1 Pharmaceuticals ALLERTON CHARLOTTE MOIRA NORFO (GB) 2003-12-25 US disclosed
WO-2003061653-A9 3-(IMIDAZOLYL)-2-AMINOPROPANOIC ACIDS FOR USE AS TAFI-A INHIBITORS FOR THE TREATMENT OF THROMBOTIC DISEASES PFIZER LTD (GB) 2003-12-24 WO disclosed
US-20030199522-A1 3-(Imidazolyl)-2-alkoxypropanoic acids PFIZER INC. 2003-10-23 US disclosed
US-20030191107-A1 3-(Imidazolyl)-2-aminopropanoic acids PFIZER INC. 2003-10-09 US disclosed
WO-2003061653-A1 3-(IMIDAZOLYL)-2-AMINOPROPANOIC ACIDS FOR USE AS TAFI-A INHIBITORS FOR THE TREATMENT OF THROMBOTIC DISEASES PFIZER LIMITED (GB) 2003-07-31 WO disclosed
WO-2003061652-A1 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIC ACIDS AS TAFIA INHIBITORS PFIZER LIMITED (GB) 2003-07-31 WO disclosed
EP-1311488-A1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS Pfizer Limited (GB) 2003-05-21 EP disclosed
US-20020147229-A1 Pharmaceuticals PFIZER INC. 2002-10-10 US disclosed
WO-2002014285-A1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LIMITED (GB) 2002-02-21 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 (6 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-20030199522-A1 3-(Imidazolyl)-2-alkoxypropanoic acids F2, FGB, F7 C3AR1 30/4885GNPAT 1225/4885NOD1 1688/4885
US-20040254164-A1 3-(imidazolyl)-2-alkoxypropanoic acids F2, FGB, F7 C3AR1 26/4885GNPAT 1298/4885NOD1 1696/4885
US-20040192668-A1 3-(imidazolyl)-2-aminopropanoic acids FGB, F2, F11 C3AR1 37/4885GNPAT 1245/4885NOD1 1172/4885
US-20020147229-A1 Pharmaceuticals BDKRB1, TFPI, BDKRB2 C3AR1 41/4885GNPAT 2150/4885NOD1 1494/4885
US-20030236420-A1 Pharmaceuticals BDKRB1, TFPI, SERPINE1 C3AR1 36/4885GNPAT 2920/4885NOD1 1185/4885
US-20030191107-A1 3-(Imidazolyl)-2-aminopropanoic acids FGB, F2, F11 C3AR1 37/4885GNPAT 1245/4885NOD1 1172/4885

“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.