SCHEMBL698079

SCHEMBL698079

O=C(O)CC(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.61
ADAMTS4 O75173 3/20 0.61
MMP13 P45452 3/20 0.61
MMP8 P22894 1/20 0.61
MMP2 P08253 11/20 0.59
SLC1A3 P43003 2/20 0.53
SLC1A2 P43004 2/20 0.53
SLC1A1 P43005 2/20 0.53
ADAMTS5 Q9UNA0 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL698080 1.00 MMP9 (0.61) MMP9ADAMTS4MMP13MMP8MMP2
SCHEMBL713304 1.00 MMP9 (0.61) MMP9ADAMTS4MMP13MMP8MMP2
SCHEMBL8492008 0.92 MMP9 (0.74) MMP9ADAMTS4MMP13MMP8MMP2
SCHEMBL8485346 0.92 MMP9 (0.74) MMP9ADAMTS4MMP13MMP8MMP2
SCHEMBL5191062 0.87 MMP2 (0.63) MMP9ADAMTS4MMP13MMP8MMP2
SCHEMBL8685172 0.87 MMP2 (0.63) MMP9ADAMTS4MMP13MMP8MMP2
SCHEMBL5178707 0.85 ADAMTS4 (0.52) MMP9ADAMTS4MMP13MMP8MMP2
SCHEMBL2219245 0.85 MMP2 (0.56) MMP9ADAMTS4MMP13MMP8MMP2
SCHEMBL698843 0.85 TDP1 (0.63) MMP9ADAMTS4MMP13MMP8MMP2
SCHEMBL7099492 0.85 MMP2 (0.63) MMP9ADAMTS4MMP13MMP8MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11440882-B2 Process for the preparation of dexmethyl phenidate hydrochloride HARMAN FINOCHEM LIMITED (IN) 2022-09-13 US claimed
US-20210371381-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF DEXMETHYL PHENIDATE HYDROCHLORIDE HARMAN FINOCHEM LIMITED (IN) 2021-12-02 US claimed
EP-3484850-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF DEXMETHYL PHENIDATE HYDROCHLORIDE Harman Finochem Limited (IN) 2019-05-22 EP claimed
WO-2018015971-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF DEXMETHYL PHENIDATE HYDROCHLORIDE HARMAN FINOCHEM LIMITED (IN) 2018-01-25 WO claimed
WO-2010010359-A2 A PROCESS FOR THE PREPARATION OF CINACALCET AND ITS SALTS CILPA LIMITED (IN) 2010-01-28 WO claimed
EP-1457487-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE CIS-PIPERIDINE DERIVATIVES Toray Fine Chemicals Co., Ltd. (JP) 2004-09-15 EP claimed
US-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TORAY FINE CHEMICALS CO., LTD., A CORPORATION OF JAPAN, (JP) 2004-09-02 US claimed
JP-4018057-A None JP disclosed
US-11440882-B2 Process for the preparation of dexmethyl phenidate hydrochloride HARMAN FINOCHEM LIMITED (IN) 2022-09-13 US disclosed
US-20210371381-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF DEXMETHYL PHENIDATE HYDROCHLORIDE HARMAN FINOCHEM LIMITED (IN) 2021-12-02 US disclosed
EP-3484850-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF DEXMETHYL PHENIDATE HYDROCHLORIDE Harman Finochem Limited (IN) 2019-05-22 EP disclosed
WO-2018015971-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF DEXMETHYL PHENIDATE HYDROCHLORIDE HARMAN FINOCHEM LIMITED (IN) 2018-01-25 WO disclosed
EP-2423211-B1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF KANEKA CORP (JP) 2014-04-16 EP disclosed
US-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TORAY FINE CHEMICALS CO., LTD., A CORPORATION OF JAPAN, (JP) 2004-09-02 US disclosed
EP-0906906-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2-PIPERAZINECARBOXYLIC ACID DERIVATIVES TORAY INDUSTRIES (JP) 2003-08-27 EP disclosed
US-5952503-A Method for producing optically-active 2-piperazinecarboxylic acid derivatives TORAY INDUSTRIES, INC. (JP) 1999-09-14 US disclosed
EP-0906906-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2-PIPERAZINECARBOXYLIC ACID DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1999-04-07 EP disclosed
JP-H0418057-A PRODUCTION OF OPTICALLY ACTIVE 1,2-PROPANEDIAMINE TORAY IND INC 1992-01-22 JP disclosed
US-4610827-A Amino acid complex and a method for optical resolution of a DL-amino acid AJINOMOTO CO., INC. (JP) 1986-09-09 US disclosed
EP-0132373-A1 A neutral amino acid complex and a method for optical resolution of a DL-amino acid AJINOMOTO CO., INC. (JP) 1985-01-30 EP 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 (3 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-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TYR, DDC, TARBP1 MMP9 1373/4885ADAMTS4 2548/4885MMP13 1152/4885
US-11440882-B2 Process for the preparation of dexmethyl phenidate hydrochloride SLC6A3, COMT, DAO MMP9 1184/4885ADAMTS4 1742/4885MMP13 2004/4885
US-20210371381-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF DEXMETHYL PHENIDATE HYDROCHLORIDE COMT, SLC6A3, DAO MMP9 1477/4885ADAMTS4 1495/4885MMP13 2105/4885

“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.