SCHEMBL1559014

SCHEMBL1559014

O=C(O)C(CS)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 1.00
▸ CPA3 P15088 2/20 1.00
▸ CYP1A2 P05177 1/20 0.76
▸ CPA1 P15085 2/20 0.66
▸ CPB1 P15086 1/20 0.66
▸ CPB2 Q96IY4 1/20 0.66
▸ MME P08473 1/20 0.63

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
SCHEMBL1464853 1.00 FOLH1 (1.00) FOLH1CPA3CYP1A2CPA1CPB1
SCHEMBL4664822 0.87 CYP1A2 (1.00) FOLH1CPA3CYP1A2CPA1CPB1
SCHEMBL9622038 0.85 CYP1A2 (0.86) FOLH1CPA3CYP1A2CPA1CPB1
SCHEMBL9875948 0.85 CYP1A2 (0.95) FOLH1CPA3CYP1A2CPA1CPB1
SCHEMBL22115491 0.85 CYP1A2 (0.95) FOLH1CPA3CYP1A2CPA1CPB1
SCHEMBL27291058 0.85 CYP1A2 (0.95) FOLH1CPA3CYP1A2CPA1CPB1
SCHEMBL7439697 0.85 CYP1A2 (0.86) FOLH1CPA3CYP1A2CPA1CPB1
SCHEMBL7432418 0.85 CYP1A2 (0.86) FOLH1CPA3CYP1A2CPA1CPB1
SCHEMBL5054419 0.84 FOLH1 (0.80) FOLH1CPA3CYP1A2CPA1CPB1
SCHEMBL10038980 0.84 CPA3 (0.72) FOLH1CPA3CYP1A2MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109942468-A A kind of process preparing cadotril by 3- phenyl -1- propine 大连万福制药有限公司 2019-06-28 — — CN claimed
US-20060089503-A1 Processes for producing optically active 2-thiomethyl-3-phenylpropionic acid derivative and for producing intermediate therefor KANEKA CORPORATION (JP) 2006-04-27 — — US claimed
EP-1577310-A1 PROCESSES FOR PRODUCING OPTICALLY ACTIVE 2-THIOMETHYL-3-PHENYLPROPIONIC ACID DERIVATIVE AND FOR PRODUCING INTERMEDIATE THEREFOR KANEKA CORPORATION (JP) 2005-09-21 — — EP claimed
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 — — US claimed
EP-0820439-B1 METHOD FOR THE ASYMMETRICAL SYNTHESIS OF S-ACYLATED DERIVATIVES OF 2-MERCAPTOMETHYL 3-PHENYL PROPANOIC ACID, AND USE THEREOF FOR SYNTHESISING N-(MERCAPTOACYL) AMINO ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2000-05-03 — — EP claimed
US-6013829-A REDUCING A MALONIC DIESTER, HYDRIDING TO OBTAIN A DIOL, ACETYLATING TO OBTAIN A MONOESTER, OXIDATION, SAPONIFICATION AND THIOACYLATING; ENZYME INHIBITORS; PROTEASES; OPTICS; ANTISECRETORY AND HYPOTENSIVE AGENTS SOCIETE CIVILE BIOPROJET (FR) 2000-01-11 — — US claimed
EP-2303929-B1 A MACROCYCLIC DERIVATIVE AND ASSEMBLIES FORMED THEREFROM UNIV COLLEGE DUBLIN NAT UNIV IRELAND DUBLIN (IE) 2024-10-02 — — EP disclosed
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 — — EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 — — US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 — — US disclosed
CN-110156820-B Mercaptoamide boronic acid derivatives and application thereof as MBL (sodium Bromide) and/or SBL (SBL) inhibitor 四川大学 2021-06-25 — — CN disclosed
CN-108430968-B Industrial process for the preparation of (5S,10S) -10-benzyl-16-methyl-11, 14, 18-trioxo-15, 17, 19-trioxa-2, 7, 8-trithia-12-azaheneicosane-5-ammonium (E) -3-carboxy acrylate 领先药物公司 2021-01-05 — — CN disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 — — US disclosed
EP-0820439-A1 METHOD FOR THE ASYMMETRICAL SYNTHESIS OF S-ACYLATED DERIVATIVES OF 2-MERCAPTOMETHYL 3-PHENYL PROPANOIC ACID, AND USE THEREOF FOR SYNTHESISING N-(MERCAPTOACYL) AMINO ACID DERIVATIVES SOCIETE CIVILE BIOPROJET (FR) 1998-01-28 — — EP disclosed
WO-1997029086-A1 METHOD FOR THE ASYMMETRICAL SYNTHESIS OF S-ACYLATED DERIVATIVES OF 2-MERCAPTOMETHYL 3-PHENYL PROPANOIC ACID, AND USE THEREOF FOR SYNTHESISING N-(MERCAPTOACYL) AMINO ACID DERIVATIVES SOCIETE CIVILE BIOPROJET (FR) 1997-08-14 — — WO disclosed
US-5486596-A CYCLIC PEPTIDES CESKOSLOVENSKA AKADEMIE VED (CS) 1996-01-23 — — US disclosed
US-5210266-A Analgesic enkephalinase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 — — US disclosed
US-5179125-A Analgesics DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-01-12 — — US disclosed
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 — — EP disclosed
US-4513009-A GLYCINE, ALANINE AND SERINE DERIVATIVES SOCIETE CIVILE BIOPROJET (FR) 1985-04-23 — — 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 (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-20060089503-A1 Processes for producing optically active 2-thiomethyl-3-phenylpropionic acid derivative and for producing intermediate therefor NOTUM, FAR1, ALDH7A1 FOLH1 186/4885CPA3 2409/4885CYP1A2 317/4885

“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.

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