Sugi Predict

Sugi Predict / Compounds / SCHEMBL839468

SCHEMBL839468

SCHEMBL839468

CC(=O)SC(Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPI P09923 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ XIAP P98170 1/20 0.53
▸ SLC7A5 Q01650 1/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CPA3 P15088 3/20 0.46
▸ CPA1 P15085 2/20 0.46
▸ FOLH1 Q04609 1/20 0.46
▸ CPB1 P15086 1/20 0.46
▸ CPB2 Q96IY4 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL4842827 1.00 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL839467 1.00 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9395387 0.95 PKM (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9395382 0.95 ALPI (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9230062 0.90 SRR (0.50) CPA1SRRPPARGPPARA
SCHEMBL6088591 0.86 EPHX1 (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7394752 0.86 ALPI (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7682382 0.86 ALPI (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8882105 0.84 PPARA (0.45) MEN1KMT2ACPA1PPARGPPARA
SCHEMBL8695322 0.84 PPARG (0.47) MEN1KMT2AMAPTNPSR1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487836-B1 ETHANE-1,2-DIAMINO-BIS (2R)-2-BROMO-3-PHENYLPROPANOATE|, METHOD FOR PRODUCTION AND USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2006-09-06 — — EP claimed
US-7009047-B2 Ethane-1,2-diaminium bis[(2R)-2-bromo-3-phenylpropanoate], processes for its preparation and its use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-03-07 — — US claimed
EP-1487836-A1 ETHANE-1,2-DIAMINO-BIS (2R)-2-BROMO-3-PHENYLPROPANOATE], METHOD FOR PRODUCTION AND USE THEREOF Aventis Pharma Deutschland GmbH (DE) 2004-12-22 — — EP claimed
EP-1138671-B1 Production method of aromatic acylthiocarboxylic acid derivative AJINOMOTO KK (JP) 2004-09-01 — — EP claimed
US-20040069208-A1 Process for crystallizing enantiomerically enriched 2-acetylthio-3-phenylpropionic acid DSM IP ASSETS B.V. (NL) 2004-04-15 — — US claimed
US-20040010039-A1 Ethane-1,2-diaminium bis[(2R)-2-bromo-3-phenylpropanoate], processes for its preparation and its use DEUTSCHE BANK AG NEW YORK BRANCH 2004-01-15 — — US claimed
WO-2003078434-A1 ETHANE-1,2-DIAMINO-BIS[(2R)-2-BROMO-3-PHENYLPROPANOATE], METHOD FOR PRODUCTION AND USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-25 — — WO claimed
US-20030125575-A1 Process for the preparation of(R)-2-bromo-3-phenyl -propionic acid DSM N.V. (NL) 2003-07-03 — — US claimed
US-20030120102-A1 Method for the preparation of (s) -2-acetylthio-3-phenylpropionic acid DSM IP ASSETS B.V. (NL) 2003-06-26 — — US claimed
EP-1313702-A1 PROCESS FOR CRYSTALLIZING ENANTIOMERICALLY ENRICHED 2-ACETYLTHIO-3-PHENYLPROPIONIC ACID DSM N.V. (NL) 2003-05-28 — — EP claimed
EP-1056715-B1 PROCESS FOR PREPARING 2-ACETYLTHIO-3-PHENYL-PROPIONIC ACID AND THE SALTS THEREOF ZAMBON SPA (IT) 2002-06-12 — — EP claimed
US-20020010358-A1 Production method of aromatic carboxylic acid derivative AJINOMOTO CO., INC. (JP) 2002-01-24 — — US claimed
WO-2002006217-A1 PROCESS FOR CRYSTALLIZING ENANTIOMERICALLY ENRICHED 2-ACETYLTHIO-3-PHENYLPROPIONIC ACID DSM N.V. (NL) 2002-01-24 — — WO claimed
EP-1138671-A1 Production method of aromatic acylthiocarboxylic acid derivative Ajinomoto Co., Inc. (JP) 2001-10-04 — — EP claimed
WO-2001058837-A2 PROCESS FOR THE PREPARATION OF (R)-2-BROMO-3-PHENYL-PROPIONIC ACID DSM N.V. (NL) 2001-08-16 — — WO claimed
WO-2001058865-A1 METHOD FOR THE PREPARATION OF (S)-2-ACETYLTHIO-3-PHENYLPROPIONIC ACID DSM N.V. (NL) 2001-08-16 — — WO claimed
EP-1056715-A1 PROCESS FOR PREPARING 2-ACETYLTHIO-3-PHENYL-PROPIONIC ACID AND THE SALTS THEREOF ZAMBON GROUP S.p.A. (IT) 2000-12-06 — — EP claimed
US-6080881-A Process for preparing 2-acetythio-3-phenyl-propionic acid and the salts thereof ZAMBON GROUP S.P.A. (IT) 2000-06-27 — — US claimed
WO-1999042438-A1 PROCESS FOR PREPARING 2-ACETYLTHIO-3-PHENYL-PROPIONIC ACID AND THE SALTS THEREOF ZAMBON GROUP S.P.A. (IT) 1999-08-26 — — WO claimed
US-5856476-A Processes for preparing azepiones useful as intermediates in the preparation of inhibitors of angiotensin converting enzyme and neutral endopeptidase E. R. SQUIBBS & SONS, INC. (US) 1999-01-05 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20020010358-A1 Production method of aromatic carboxylic acid derivative AADAC, DDC, AADAT ALPI 2302/4885PKM 3743/4885PTGS1 530/4885
US-20040010039-A1 Ethane-1,2-diaminium bis[(2R)-2-bromo-3-phenylpropanoate], processes for its preparation and its use ACE, ECE1, ECE2 ALPI 2674/4885PKM 1266/4885PTGS1 434/4885

“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.