Sugi Predict

Sugi Predict / Compounds / SCHEMBL839261

SCHEMBL839261

SCHEMBL839261

O=C(O)[C@@H](CO)Cc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.79
▸ CPA1 P15085 7/20 0.68
▸ CPA3 P15088 3/20 0.68
▸ FOLH1 Q04609 3/20 0.68
▸ CPB1 P15086 1/20 0.68
▸ CPB2 Q96IY4 1/20 0.68
▸ SLC1A3 P43003 1/20 0.61
▸ SLC1A2 P43004 1/20 0.61
▸ SLC1A1 P43005 1/20 0.61
▸ MME P08473 1/20 0.58
▸ NAALAD2 Q9Y3Q0 1/20 0.56
▸ ALPI P09923 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ XIAP P98170 1/20 0.55
▸ SLC7A5 Q01650 1/20 0.55

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
SCHEMBL6154166 1.00 CYP1A2 (0.79) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL8106525 1.00 CYP1A2 (0.79) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL839262 1.00 CYP1A2 (0.79) CYP1A2CPA1CPA3FOLH1CPB1
Ammonia Solution, Strong SCHEMBL7515476 0.98 CYP1A2 (0.76) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL6542093 0.89 CYP1A2 (0.76) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL4664822 0.89 CYP1A2 (1.00) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL9622038 0.86 CYP1A2 (0.86) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7439697 0.86 CYP1A2 (0.86) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL22115491 0.86 CYP1A2 (0.95) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7432418 0.86 CYP1A2 (0.86) CYP1A2CPA1CPA3FOLH1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100546969-C Split the method for 2-methylol-3-phenylpropionic acid optical isomer SHANGHAI INST OF MEDICINE INDU (CN) 2009-10-07 — — CN claimed
CN-1931821-A Process of resolving optical isomer of 2-hydroxmethyl-3-phenylpropionic acid SHANGHAI INST OF MEDICINE INDU (CN) 2007-03-21 — — CN claimed
EP-0906900-B1 A process for preparing optically active 2-hydroxy-methyl-3-phenylpropionic acid AJINOMOTO KK (JP) 2002-01-23 — — EP claimed
EP-0641800-B1 Lactol derivatives as inhibitors of cathepsin L TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-16 — — EP claimed
US-6028217-A CHEMICAL INTERMEDIATE FOR RENIN INHIBITOR OR ENKEPHALINASE ENZYME INHIBITOR AJINOMOTO CO., INC. (JP) 2000-02-22 — — US claimed
EP-0906900-A1 A process for preparing optically active 2-hydroxy-methyl-3-phenylpropionic acid Ajinomoto Co., Inc. (JP) 1999-04-07 — — EP claimed
CN-107674010-B Preparation method and detection method of ecadotril 陕西汉江药业集团股份有限公司 2020-04-07 — — CN disclosed
US-10093625-B2 Process for the preparation of [[2(S)-[[4(R)-(3-hydroxyphenyl)-3(R),4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]amino]acetic acid dihydrate MSN LABORATORIES PRIVATE LIMITED (IN) 2018-10-09 — — US disclosed
US-20170247328-A1 IMPROVED PROCESS FOR THE PREPARATION OF [[2(S)-[[4(R)-(3-HYDROXYPHENYL)-3(R),4-DIMETHYL-1-PIPERIDINYL]METHYL]-1-OXO-3-PHENYLPROPYL]AMINO]ACETIC ACID DIHYDRATE MSN LABORATORIES PRIVATE LIMITED (IN) 2017-08-31 — — US disclosed
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC. (US) 2015-01-08 — — US disclosed
US-8735625-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2014-05-27 — — US disclosed
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-02-13 — — US disclosed
US-8394846-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2013-03-12 — — US disclosed
US-5319082-A N-acylamino acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-06-07 — — US disclosed
US-5240924-A Dipeptide hypotensives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 — — US disclosed
US-5122523-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-06-16 — — US disclosed
EP-0377139-A1 N-substituted acylamino acid compounds, process for their production and their use Banyu Pharmaceutical Co., Ltd. (JP) 1990-07-11 — — EP disclosed
CN-1032786-A N-acyl amino acid derivative and uses thereof BANYU PHARMA CO LTD (JP) 1989-05-10 — — CN disclosed
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 — — EP disclosed
US-4734367-A OPTICALLY ACTIVE INTERMEDIATES HOFFMANN-LA ROCHE INC. (US) 1988-03-29 — — 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 (4 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-20170247328-A1 IMPROVED PROCESS FOR THE PREPARATION OF [[2(S)-[[4(R)-(3-HYDROXYPHENYL)-3(R),4-DIMETHYL-1-PIPERIDINYL]METHYL]-1-OXO-3-PHENYLPROPYL]AMINO]ACETIC ACID DIHYDRATE HPD, GRHPR, HCAR2 CYP1A2 251/4885CPA1 963/4885CPA3 1891/4885
US-10093625-B2 Process for the preparation of [[2(S)-[[4(R)-(3-hydroxyphenyl)-3(R),4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]amino]acetic acid dihydrate HPD, HCAR2, GRHPR CYP1A2 225/4885CPA1 1154/4885CPA3 2028/4885
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CYP1A2 1422/4885CPA1 285/4885CPA3 353/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CYP1A2 1422/4885CPA1 285/4885CPA3 353/4885

“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.