SCHEMBL201710

SCHEMBL201710

O=C(N[C@@H](CO)C(=O)O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.57
PPARG P37231 1/20 0.57
CTSK P43235 3/20 0.57
TACR1 P25103 2/20 0.57
CTRB1 P17538 2/20 0.56
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
CTSS P25774 1/20 0.56
IDO1 P14902 1/20 0.55
TDO2 P48775 1/20 0.55
CASP1 P29466 2/20 0.54
ALDH1A1 P00352 1/20 0.54
ALOX15 P16050 1/20 0.54
ITGB3 P05106 4/20 0.54
ITGA2B P08514 4/20 0.54
KYNU Q16719 1/20 0.53

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
SCHEMBL457686 1.00 PPARA (0.57) PPARAPPARGCTSKTACR1CTRB1
SCHEMBL295865 1.00 PPARA (0.57) PPARAPPARGCTSKTACR1CTRB1
SCHEMBL9572336 0.94 CTSK (0.55) PPARAPPARGCTSKTACR1CTSL
SCHEMBL9572337 0.94 CTSK (0.55) PPARAPPARGCTSKTACR1CTSL
Alanine SCHEMBL28766518 0.92 CTSK (0.56) PPARAPPARGCTSKCTSLCTSB
SCHEMBL1192366 0.92 PPARA (0.51) PPARAPPARGCTSKTACR1CTRB1
SCHEMBL2677964 0.90 CTSK (0.57) CTSKTACR1CTRB1CTSLCTSB
SCHEMBL17446717 0.90 CTSK (0.57) CTSKTACR1CTRB1CTSLCTSB
SCHEMBL7032185 0.90 CTSK (0.57) CTSKTACR1CTRB1CTSLCTSB
SCHEMBL13503284 0.89 ALDH1A1 (0.64) CTSKTACR1CTRB1CTSLCTSB

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 787 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242572-A1 a-CARBONYL ALKENYL ESTER PREPARATION METHOD THEREFOR AND APPLICATION THEREOF JIANGXI NORMAL UNIVERSITY (CN) 2023-08-03 US claimed
CN-113292430-B Alpha-carbonyl alkenyl ester compound and preparation method and application thereof 江西师范大学 2022-11-29 CN claimed
CN-114133398-B Amino acid substituted acyclovir tricyclic nucleoside derivative and synthesis method and application thereof 中南民族大学 2022-11-22 CN claimed
CN-114133398-A Amino acid substituted acyclovir tricyclic nucleoside derivative and synthesis method and application thereof 中南民族大学 2022-03-04 CN claimed
CN-108047268-B 1-aza-5-gera-5-alkyl bicyclo [3.3.3] undecane compound, synthesis method and application 中国科学技术大学 2020-05-01 CN claimed
CN-100494196-C Indole alkaloid derivative, and its preparing method and use UNIV CAPITAL MEDICAL (CN) 2009-06-03 CN claimed
US-20060287500-A1 Method for synthesis of C2-symmetric diamino diol mediated by titanium complexes DEVELOPMENT CENTER FOR BIOTECHNOLOGY 2006-12-21 US claimed
CN-1743327-A Indole alkaloid derivative, and its preparing method and use CAPITAL MEDICAL UNIV (CN) 2006-03-08 CN claimed
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
EP-0667246-A1 Recording sheets containing amino acids, hydroxy acids, and polycarboxyl compounds XEROX CORPORATION (US) 1995-08-16 EP claimed
EP-0396080-B1 New serine derivatives, process for their preparation and their use in human therapy FIDIA SPA (IT) 1995-01-18 EP claimed
EP-0567207-A2 Method of reducing impurities in aqueous monomer solutions ROHM AND HAAS COMPANY (US) 1993-10-27 EP claimed
US-5208370-A Reducing protoanemonin by using phenylenediamines ROHM AND HAAS CO. (US) 1993-05-04 US claimed
EP-0016800-B1 DETERMINATION OF PROTEOLYTIC ENZYMES IN BODY FLUIDS AND FLUOROGENIC SUBSTRATES AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1986-03-05 EP claimed
US-4336186-A Analytical fluorogenic substrates for proteolytic enzymes DADE INTERNATIONAL INC. 1982-06-22 US claimed
US-4275153-A Analytical fluorogenic substrates for proteolytic enzymes AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1981-06-23 US claimed
EP-0016800-A4 Determination of proteolytic enzymes in body fluids and fluorogenic substrates. AMERICAN HOSPITAL SUPPLY CORP (US) 1981-01-08 EP claimed
EP-0016800-A1 Determination of proteolytic enzymes in body fluids and fluorogenic substrates. AMERICAN HOSPITAL SUPPLY CORP (US) 1980-10-15 EP claimed
WO-1980000351-A1 ANALYTICAL FLUOROGENIC SUBSTRATES FOR PROTEOLYTIC ENZYMES AMERICAN HOSPITAL SUPPLY CORP (US) 1980-03-06 WO claimed

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-20230242572-A1 a-CARBONYL ALKENYL ESTER PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ACSL1, ACSL4, WEE1 PPARA 1057/4885PPARG 2298/4885CTSK 2595/4885
US-20060287500-A1 Method for synthesis of C2-symmetric diamino diol mediated by titanium complexes TLL2, TLL1, CTSL PPARA 3280/4885PPARG 4283/4885CTSK 201/4885

“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.