SCHEMBL715191

SCHEMBL715191

CCS(=O)(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.39
CA4 P22748 1/20 0.39
MME P08473 2/20 0.39
CA1 P00915 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
GNPAT O15228 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GPR84 Q9NQS5 2/20 0.34

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
SCHEMBL714149 1.00 CA2 (0.39) CA2CA4MMECA1SLC22A6
SCHEMBL13253140 1.00 CA2 (0.39) CA2CA4MMECA1SLC22A6
SCHEMBL31128440 0.83 ITGB3 (0.46) GPR84
SCHEMBL698874 0.81 CA2 (0.40) CA2CA4MMECA1TDP1
SCHEMBL715097 0.81 CA2 (0.40) CA2CA4MMECA1TDP1
SCHEMBL698875 0.81 CA2 (0.40) CA2CA4MMECA1TDP1
SCHEMBL8080233 0.79 ITGB3 (0.36) CA2SMN1; SMN2
SCHEMBL8980517 0.78 CA2 (0.41) CA2CA4MMECA1SLC22A6
SCHEMBL27523949 0.78 CA2 (0.41) CA2CA4MMECA1SLC22A6
SCHEMBL20335027 0.78 ALDH1A1 (0.52) CA2MMECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117355337-A Protein-macromolecule conjugates and methods of use thereof 奥迪曼药业科技有限公司 2024-01-05 CN disclosed
US-8586638-B2 Parakeratosis inhibitor and skin preparation for external use SHISEIDO COMPANY, LTD (JP) 2013-11-19 US disclosed
CN-102274130-B Application of n- benzene sulfonyl-l-glutamic acid or saline thereof SHISEIDO CO LTD 2013-06-12 CN 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-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

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-20120053243-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE CUTA, HPN, DNPEP CA2 2319/4885CA4 2926/4885MME 1500/4885
US-20120253064-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE CUTA, HPN, PRSS1 CA2 2770/4885CA4 3182/4885MME 838/4885
US-20070225380-A1 Parakeratosis Inhibitor and Skin Preparation for External use CUTA, HPN, DNPEP CA2 2319/4885CA4 2926/4885MME 1500/4885

“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.