SCHEMBL698067

SCHEMBL698067

O=C(O)CCC(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.67
CA1 P00915 3/20 0.67
TDP1 Q9NUW8 1/20 0.63
LMNA P02545 1/20 0.63
HSD17B10 Q99714 1/20 0.63
FOLH1 Q04609 3/20 0.60
NAALAD2 Q9Y3Q0 3/20 0.60
GAA P10253 1/20 0.59
HPGD P15428 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
GGH Q92820 1/20 0.56
RIMKLA Q8IXN7 1/20 0.56
ADAMTS4 O75173 1/20 0.54
ADAMTS5 Q9UNA0 1/20 0.54

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
SCHEMBL97498 1.00 CA2 (0.67) CA2CA1TDP1LMNAHSD17B10
SCHEMBL715646 1.00 CA2 (0.67) CA2CA1TDP1LMNAHSD17B10
SCHEMBL28286177 0.98 CA2 (0.65) CA2CA1TDP1LMNAHSD17B10
SCHEMBL28184998 0.98 CA2 (0.65) CA2CA1TDP1LMNAHSD17B10
SCHEMBL28287497 0.98 CA2 (0.65) CA2CA1TDP1LMNAHSD17B10
SCHEMBL28286179 0.98 CA2 (0.65) CA2CA1TDP1LMNAHSD17B10
SCHEMBL28185002 0.98 CA2 (0.65) CA2CA1TDP1LMNAHSD17B10
SCHEMBL4618531 0.98 CA2 (0.65) CA2CA1TDP1LMNAHSD17B10
Ammonia Solution, Strong SCHEMBL28375957 0.98 CA2 (0.65) CA2CA1TDP1LMNAHSD17B10
SCHEMBL28287499 0.98 CA2 (0.65) CA2CA1TDP1LMNAHSD17B10

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
CN-107442038-B Ultraviolet response amino acid surfactant and preparation method thereof 广州天赐高新材料股份有限公司 2019-08-09 CN claimed
CN-107442038-A Ultraviolet response amino acid surfactant and preparation method thereof 广州天赐高新材料股份有限公司 2017-12-08 CN claimed
US-20170223990-A1 FOOD PRESERVATION WITH FOLATES UNIVERSITY OF CALCUTTA (IN) 2017-08-10 US claimed
CN-106431957-A Method for synthesizing N-benzoyl glutamic acid being proglumide drug intermediate 厦门莱恩斯特信息科技有限公司 2017-02-22 CN claimed
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
CN-106279174-A A kind of preparation technology of folic acid 黄冈华阳药业有限公司 2017-01-04 CN claimed
CN-105481710-A Synthetic method of proglumide drug intermediate N-benzoyl glutamic acid CHENGDU DONGDIAN AIER SCIENCE AND TECH CO LTD 2016-04-13 CN claimed
US-20070112216-A1 Method for producing chiral mercapto amino acids DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-05-17 US 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
CN-1097459-C Diazepino-indoles as phosphodiesterase IV inhibitors JOUVEINAL INST RECH (FR) 2003-01-01 CN claimed
US-6395077-B1 INKS WITH BENZOYLBENZOIC ACID AND COLORS XEROX CORPORATION 2002-05-28 US claimed
US-5610316-A Process for the preparation of (-)-eserethole from mixtures of (-) and (+)-eserethole LABORATORIO CHIMICO INTERNAZIONALE S.P.A. (IT) 1997-03-11 US claimed
US-4738811-A WITH OPTICALLY ACTIVE MONOMER NIPPON OIL COMPANY, LIMITED (JP) 1988-04-19 US claimed
JP-4164066-A None JP disclosed
JP-4018057-A None JP disclosed
JP-56147766-A None JP disclosed
US-3993677-A ANIMAL GROWTH REGULATORS, HERBICIDES AMERICAN CYANAMID COMPANY (US) 1976-11-23 US disclosed
US-3953506-A ANIMAL GROWTH REGULATORS, HERBICIDES AMERICAN CYANAMID COMPANY (US) 1976-04-27 US disclosed
US-3953606-A ANIMAL GROWTH STIMULATORS AMERICAN CYANAMID COMPANY (US) 1976-04-27 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 (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-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TYR, DDC, TARBP1 CA2 2307/4885CA1 2106/4885TDP1 1267/4885
US-20070112216-A1 Method for producing chiral mercapto amino acids CPN1, AKR1C3, AHCY CA2 361/4885CA1 113/4885TDP1 4183/4885

“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.