SCHEMBL698875

SCHEMBL698875

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.40
CA4 P22748 1/20 0.40
MME P08473 3/20 0.40
CA1 P00915 2/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GNPAT O15228 1/20 0.36

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
SCHEMBL698874 1.00 CA2 (0.40) CA2CA4MMECA1ITGB3
SCHEMBL715097 1.00 CA2 (0.40) CA2CA4MMECA1ITGB3
SCHEMBL3977107 0.83 ECE1 (0.44) CA2CA1ITGB3ITGA2B
SCHEMBL20335048 0.83 ECE1 (0.44) CA2CA1ITGB3ITGA2B
SCHEMBL20335047 0.83 ECE1 (0.44) CA2CA1ITGB3ITGA2B
SCHEMBL3977104 0.83 SCN9A (0.36) CA2CA1ITGB3ITGA2B
SCHEMBL12052343 0.82 MMP2 (0.39) MMEITGB3ITGA2BSMN1; SMN2
SCHEMBL13253140 0.81 CA2 (0.39) CA2CA4MMECA1TDP1
SCHEMBL714149 0.81 CA2 (0.39) CA2CA4MMECA1TDP1
SCHEMBL715191 0.81 CA2 (0.39) CA2CA4MMECA1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121577901-A Urine metabolism marker combination for distinguishing benign kidney diseases from kidney cancers and application thereof 哈尔滨脉图精准技术有限公司 2026-02-27 CN claimed
CN-121577901-A Urine metabolism marker combination for distinguishing benign kidney diseases from kidney cancers and application thereof 哈尔滨脉图精准技术有限公司 2026-02-27 CN disclosed
CN-121577901-A Urine metabolism marker combination for distinguishing benign kidney diseases from kidney cancers and application thereof 哈尔滨脉图精准技术有限公司 2026-02-27 CN disclosed
CN-119291059-A Screening method for metabolic markers for distinguishing non-colorectal cancer diseases from colorectal cancer and application of screening method 哈尔滨脉图精准技术有限公司 2025-01-10 CN disclosed
EP-4316503-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-07 EP 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
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
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
US-20070225380-A1 Parakeratosis Inhibitor and Skin Preparation for External use SHISEIDO COMPANY LTD. (JP) 2007-09-27 US disclosed
EP-1688126-A1 PARAKERATOSIS INHIBITOR AND EXTERNAL COMPOSITION FOR SKIN SHISEIDO COMPANY LIMITED (JP) 2006-08-09 EP 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

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.