SCHEMBL712931

SCHEMBL712931

O=C(O)C[C@@H](NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.65
CA1 P00915 4/20 0.65
CASP3 P42574 1/20 0.55
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
ACE P12821 2/20 0.52
MME P08473 1/20 0.51
PTPN1 P18031 1/20 0.51
SLC1A2 P43004 1/20 0.50
TMPRSS15 P98073 1/20 0.49
IDO1 P14902 1/20 0.49

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
SCHEMBL697052 1.00 CA2 (0.65) CA2CA1CASP3GAAMAPT
SCHEMBL697053 1.00 CA2 (0.65) CA2CA1CASP3GAAMAPT
SCHEMBL29159682 0.98 CA2 (0.63) CA2CA1CASP3GAAMAPT
SCHEMBL28334970 0.86 CA2 (0.50) CA2CA1ACEPTPN1SLC1A2
SCHEMBL9829896 0.86 CA2 (0.66) CA2CA1CASP3PTPN1TMPRSS15
SCHEMBL5280601 0.86 CA2 (0.68) CA2CA1ACEPTPN1SLC1A2
SCHEMBL9829891 0.86 CA2 (0.66) CA2CA1CASP3PTPN1TMPRSS15
SCHEMBL5191250 0.86 CA2 (0.68) CA2CA1ACEPTPN1SLC1A2
Phenylalanine SCHEMBL10413087 0.85 SLC7A5 (0.59) CA2CA1GAAMAPTACE
SCHEMBL20875154 0.84 CTSL (0.50) CA2CA1CASP3GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116735753-A Detection method of benzoyl-L-aspartic acid dimethyl ester enantiomer 上海司太立制药有限公司 2023-09-12 CN disclosed
US-8586638-B2 Parakeratosis inhibitor and skin preparation for external use SHISEIDO COMPANY, LTD (JP) 2013-11-19 US disclosed
US-20120253064-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE SHISEIDO COMPANY, LTD. (JP) 2012-10-04 US disclosed
EP-2491980-A2 Parakeratosis inhibitor and skin preparation for external use SHISEIDO COMPANY LIMITED (JP) 2012-08-29 EP disclosed
EP-2491981-A2 Parakeratosis inhibitor and external composition for skin SHISEIDO COMPANY LIMITED (JP) 2012-08-29 EP disclosed
US-20120053243-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE SHISEIDO COMPANY, LTD. (JP) 2012-03-01 US 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
US-7569690-B2 Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2009-08-04 US disclosed
CN-100360510-C Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINECHEMICALS CO LTD (JP) 2008-01-09 CN disclosed
US-20070225380-A1 Parakeratosis Inhibitor and Skin Preparation for External use SHISEIDO COMPANY LTD. (JP) 2007-09-27 US disclosed
CN-1886114-A Parakeratosis inhibitor and composition for external use on skin SHISEIDO CO LTD (JP) 2006-12-27 CN disclosed
EP-1688126-A1 PARAKERATOSIS INHIBITOR AND EXTERNAL COMPOSITION FOR SKIN SHISEIDO COMPANY LIMITED (JP) 2006-08-09 EP disclosed
US-20060161003-A1 Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2006-07-20 US disclosed
CN-1681797-A Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINECHEMICALS CO LTD (JP) 2005-10-12 CN disclosed
EP-1548010-A1 PROCESS FOR PRODUCING OXYCARBONYL-SUBSTITUTED PIPERAZINE DERIVATIVE Toray Fine Chemicals Co., Ltd. (JP) 2005-06-29 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 (4 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-20120053243-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE CUTA, HPN, DNPEP CA2 2319/4885CA1 3325/4885CASP3 2101/4885
US-20120253064-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE CUTA, HPN, PRSS1 CA2 2770/4885CA1 4382/4885CASP3 3322/4885
US-20060161003-A1 Process for producing oxycarbonyl-substituted piperazine derivative DHPS, AQP4, OGFOD1 CA2 2603/4885CA1 3233/4885CASP3 516/4885
US-20070225380-A1 Parakeratosis Inhibitor and Skin Preparation for External use CUTA, HPN, DNPEP CA2 2319/4885CA1 3325/4885CASP3 2101/4885

“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.