SCHEMBL4298901

SCHEMBL4298901

CCOC(=O)C(C(=O)O)C(C[N+](=O)[O-])c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 3/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP2C19 P33261 1/20 0.45
MMP8 P22894 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
PIN1 Q13526 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4298905 1.00 CPA1 (0.46) CPA1ALDH1A1CYP2C19MMP8LMNA
SCHEMBL578526 0.94 ALDH1A1 (0.50) CPA1ALDH1A1CYP2C19MMP8LMNA
SCHEMBL2541159 0.94 ALDH1A1 (0.50) CPA1ALDH1A1CYP2C19MMP8LMNA
SCHEMBL2541157 0.94 ALDH1A1 (0.50) CPA1ALDH1A1CYP2C19MMP8LMNA
SCHEMBL16659739 0.90 ALDH1A1 (0.44) CPA1ALDH1A1CYP2C19MMP8LMNA
SCHEMBL2418725 0.90 ALDH1A1 (0.44) CPA1ALDH1A1CYP2C19MMP8LMNA
SCHEMBL16659740 0.90 ALDH1A1 (0.44) CPA1ALDH1A1CYP2C19MMP8LMNA
SCHEMBL5243446 0.87 ALDH1A1 (0.59) CPA1ALDH1A1CYP2C19LMNAKMT2A
SCHEMBL18106499 0.87 ALDH1A1 (0.50) ALDH1A1CYP2C19LMNANPC1KMT2A
SCHEMBL18579453 0.86 ALDH1A1 (0.44) CPA1ALDH1A1CYP2C19LMNAMEN1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1640361-B9 ASYMMETRIC UREA COMPOUNDS AND PROCESS FOR PRODUCING ASYMMETRIC COMPOUNDS BY ASYMMETRIC CONJUGATE ADDITION REACTION USING THE SAME AS CATALYST SUMITOMO CHEMICAL CO (JP) 2015-11-04 EP disclosed
EP-2298730-B1 METHOD OF PRODUCING PURIFIED OPTICALLY ACTIVE 4-AMINO-3-(SUBSTITUTED PHENYL)BUTANOIC ACID COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-07-29 EP disclosed
US-9073823-B2 Compound having hetero ring skeleton, and process for producing optically active compound using the aforementioned compound as asymmetric catalyst KYOTO UNIVERSITY (JP) 2015-07-07 US disclosed
EP-1640361-B1 ASYMMETRIC UREA COMPOUNDS AND PROCESS FOR PRODUCING ASYMMETRIC COMPOUNDS BY ASYMMETRIC CONJUGATE ADDITION REACTION USING THE SAME AS CATALYST SUMITOMO CHEMICAL CO (JP) 2015-05-27 EP disclosed
CN-102459194-B Compound having hetero ring skeleton, and process for producing optically active compound using the aforementioned compound as asymmetric catalyst KYOTO UNIVERSITY (JP) 2014-10-29 CN disclosed
US-8791295-B2 Method of producing purified optically acitve 4-amino-3-(substituted phenyl)butanoic acid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-29 US disclosed
CN-102056891-B Method of producing purified optically active 4-amino-3-(substituted phenyl)butanoic acid compound SUMITOMO CHEMICAL CO 2014-06-25 CN disclosed
US-8580804-B2 Compound having hetero ring skeleton, and process for producing optically active compound using the aforementioned compound as asymmetric catalyst KYOTO UNIVERSITY (JP) 2013-11-12 US disclosed
US-20130245257-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-19 US disclosed
EP-2418204-B1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST UNIV KYOTO (JP) 2013-07-24 EP disclosed
CN-102459194-A Compound having heterocyclic skeleton and method for producing optically active compound using the same as asymmetric catalyst UNIV KYOTO 2012-05-16 CN disclosed
CN-102056891-A Method of producing purified optically active 4-amino-3-(substituted phenyl)butanoic acid compound SUMITOMO CHEMICAL CO 2011-05-11 CN disclosed
CN-1839116-B Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst SUMITOMO CHEMICAL CO 2010-05-26 CN disclosed
US-7632970-B2 Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-12-15 US disclosed
CN-100354249-C Process for preparing optically active nitro compounds and cyano compounds KANTO KAGAKU (JP) 2007-12-12 CN disclosed
CN-1839116-A Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst SUMITOMO CHEMICAL CO (JP) 2006-09-27 CN disclosed
US-20060161006-A1 Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-20 US disclosed
EP-1640361-A2 ASYMMETRIC UREA COMPOUND AND PROCESS FOR PRODUCING ASYMMETRIC COMPOUND BY ASYMMETRIC CONJUGATE ADDITION REACTION WITH THE SAME AS CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-29 EP disclosed
CN-1626501-A Process for preparing optically active nitro compounds and cyano compounds KANTO KAGAKU (JP) 2005-06-15 CN 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-20130245257-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST COASY, LSS, INF2 CPA1 4580/4885ALDH1A1 2537/4885CYP2C19 574/4885
US-20060161006-A1 Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst RAD18, UTP18, UBE2G2 CPA1 3471/4885ALDH1A1 2730/4885CYP2C19 121/4885

“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.