SCHEMBL698929

SCHEMBL698929

O=C(O)CCC(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 17/20 0.86
MMP8 P22894 7/20 0.86
MMP13 P45452 1/20 0.86
ADAMTS4 O75173 1/20 0.86
MMP2 P08253 17/20 0.68
MMP12 P39900 6/20 0.63
MMP14 P50281 6/20 0.63
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL716323 1.00 MMP9 (0.86) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL698930 1.00 MMP9 (0.86) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL14602275 0.92 MMP9 (1.00) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL14602271 0.92 MMP9 (1.00) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL31609930 0.92 MMP9 (1.00) MMP9MMP8MMP13ADAMTS4MMP2
Carglumic Acid SCHEMBL7824179 0.90 MMP9 (0.71) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL7906607 0.89 MMP9 (0.78) MMP9MMP8MMP13ADAMTS4MMP2
Toluene SCHEMBL7906483 0.89 MMP9 (0.78) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL6574668 0.88 MMP9 (0.86) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL697840 0.86 MMP9 (0.74) MMP9MMP8MMP13ADAMTS4MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106432188-A Preparation method of anti-cancer drug 2-[4-((3S)-3-Piperidinyl) phenyl]-2H-Indazole-7-Formamide 青岛辰达生物科技有限公司 2017-02-22 CN 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
EP-1436371-A2 ENZYMATIC SYSTEMS FOR GENERATING ACTIVE OXYGEN SPECIES FOR REACTING WITH OTHER PRECURSORS TO OBTAIN OXIDATION AND/OR BLEACHING Call, Krimhild (DE) 2004-07-14 EP claimed
WO-2002099023-A2 ENZYMATIC SYSTEMS FOR GENERATING ACTIVE OXYGEN SPECIES FOR REACTING WITH OTHER PRECURSORS TO OBTAIN OXIDATION AND/OR BLEACHING CALL, KRIMHILD (DE) 2002-12-12 WO claimed
JP-6107604-A None JP disclosed
CN-106432188-A Preparation method of anti-cancer drug 2-[4-((3S)-3-Piperidinyl) phenyl]-2H-Indazole-7-Formamide 青岛辰达生物科技有限公司 2017-02-22 CN 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
EP-2423211-A1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF Kaneka Corporation (JP) 2012-02-29 EP disclosed
CN-102274130-A Application of n- benzene sulfonyl-l-glutamic acid or saline thereof 2011-12-14 CN disclosed
CN-102266269-A Parakeratosis inhibitor and external composition for skin 2011-12-07 CN disclosed
CN-1886114-B Parakeratosis inhibitor and composition for external use on skin SHISEIDO CO LTD 2011-08-10 CN disclosed
EP-0906906-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2-PIPERAZINECARBOXYLIC ACID DERIVATIVES TORAY INDUSTRIES (JP) 2003-08-27 EP disclosed
WO-2002099023-A2 ENZYMATIC SYSTEMS FOR GENERATING ACTIVE OXYGEN SPECIES FOR REACTING WITH OTHER PRECURSORS TO OBTAIN OXIDATION AND/OR BLEACHING CALL, KRIMHILD (DE) 2002-12-12 WO disclosed
CN-1314906-A Salts of paroxetine SMITHKLINE BEECHAM PLC (GB) 2001-09-26 CN disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO 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-H06107604-A PRODUCTION OF OPTICALLY ACTIVE 1-@(3754/24)4-HALOGENOPHENYL) ETHYLAMINE TORAY IND INC 1994-04-19 JP 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-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TYR, DDC, TARBP1 MMP9 1373/4885MMP8 2925/4885MMP13 1152/4885

“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.