SCHEMBL2563393

SCHEMBL2563393

C[C@@H](OC(=O)Nc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.53
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
KLK7 P49862 1/20 0.51
HPGD P15428 5/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
GAA P10253 3/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
NAPRT Q6XQN6 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL1032817 1.00 CASP3 (0.53) CASP3ALDH1A1MEN1KMT2AMAPT
SCHEMBL2564007 1.00 CASP3 (0.53) CASP3ALDH1A1MEN1KMT2AMAPT
SCHEMBL910267 1.00 CASP3 (0.53) CASP3ALDH1A1MEN1KMT2AMAPT
SCHEMBL28682050 0.86 NPC1 (0.50) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL24654500 0.86 KLK7 (0.53) CASP3ALDH1A1MEN1KMT2AMAPT
SCHEMBL415617 0.86 CASP3 (0.51) CASP3ALDH1A1MEN1KMT2AMAPT
Propham SCHEMBL8536412 0.85 SMN1; SMN2 (0.66) CASP3ALDH1A1MEN1KMT2AMAPT
Propham SCHEMBL67344 0.85 SMN1; SMN2 (0.66) CASP3ALDH1A1MEN1KMT2AMAPT
SCHEMBL6379411 0.84 MAPT (0.58) ALDH1A1MAPTKLK7HPGDALOX15
SCHEMBL22500626 0.84 HSD17B10 (0.54) ALDH1A1MEN1KMT2AMAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504002-B1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE BETA-AMINOKETONES AND OPTICALLY ACTIVE 1,3-AMINOALCOHOLS SANOFI AVENTIS DEUTSCHLAND (DE) 2012-12-19 EP claimed
US-20070270487-A1 Novel process and intermediates 085 ASTRAZENECA AB (SE) 2007-11-22 US claimed
US-7161008-B2 Optically active β-aminoketones, optically active 1,3-amino alcohols and processes for preparing them Sanofi - Aventis Deutschland GmbH (DE) 2007-01-09 US claimed
US-20040030145-A1 Optically active B-aminoketones, optically active 1,3-amino alcohols and processes for preparing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 US claimed
US-20140350301-A1 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR ACTAVIS GROUP PTC EHF (IS) 2014-11-27 US disclosed
US-20140323727-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2014-10-30 US disclosed
US-20130317220-A1 NOVEL PROCESSES FOR PREPARING TRIAZOLO[4, 5-d]PYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF ACTAVIS GROUP PTC EHF (IS) 2013-11-28 US disclosed
EP-2655341-A2 NOVEL PROCESSES FOR PREPARING TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF Actavis Group Ptc Ehf (IS) 2013-10-30 EP disclosed
US-20130165696-A1 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR ACTAVIS GROUP PTC EHF (IS) 2013-06-27 US disclosed
US-20130150577-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2013-06-13 US disclosed
EP-2588441-A2 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR Actavis Group Ptc Ehf (IS) 2013-05-08 EP disclosed
EP-2560939-A2 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES Actavis Group Ptc Ehf (IS) 2013-02-27 EP disclosed
EP-1504002-B1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE BETA-AMINOKETONES AND OPTICALLY ACTIVE 1,3-AMINOALCOHOLS SANOFI AVENTIS DEUTSCHLAND (DE) 2012-12-19 EP disclosed
WO-2012085665-A2 NOVEL PROCESSES FOR PREPARING TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF ACTAVIS GROUP PATC EHF (IS) 2012-06-28 WO disclosed
WO-2012001531-A2 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR ACTAVIS GROUP PTC EHF (IS) 2012-01-05 WO disclosed
WO-2011132083-A2 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2011-10-27 WO disclosed
US-20070270487-A1 Novel process and intermediates 085 ASTRAZENECA AB (SE) 2007-11-22 US disclosed
US-7161008-B2 Optically active β-aminoketones, optically active 1,3-amino alcohols and processes for preparing them Sanofi - Aventis Deutschland GmbH (DE) 2007-01-09 US disclosed
US-20040030145-A1 Optically active B-aminoketones, optically active 1,3-amino alcohols and processes for preparing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 US 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 (7 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-20130317220-A1 NOVEL PROCESSES FOR PREPARING TRIAZOLO[4, 5-d]PYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF TBXAS1, TBXA2R, THPO CASP3 2990/4885ALDH1A1 194/4885MEN1 4532/4885
US-20140350301-A1 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR THPO, P2RY4, TBXA2R CASP3 4267/4885ALDH1A1 1717/4885MEN1 4307/4885
US-20070270487-A1 Novel process and intermediates 085 CYP3A5, AGPAT5, CYP4F8 CASP3 3311/4885ALDH1A1 377/4885MEN1 3842/4885
US-20040030145-A1 Optically active B-aminoketones, optically active 1,3-amino alcohols and processes for preparing them ORMDL3, OR10J3, BCAT2 CASP3 2179/4885ALDH1A1 59/4885MEN1 3531/4885
US-20140323727-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES THPO, P2RY4, TPMT CASP3 4072/4885ALDH1A1 2075/4885MEN1 4044/4885
US-20130150577-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES THPO, P2RY4, TPMT CASP3 4072/4885ALDH1A1 2075/4885MEN1 4044/4885
US-20130165696-A1 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR THPO, P2RY4, TBXA2R CASP3 4267/4885ALDH1A1 1717/4885MEN1 4307/4885

“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.