SCHEMBL5729277

SCHEMBL5729277

Nc1ccccc1SCC(N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 14/20 0.49
▸ KYNU Q16719 2/20 0.49
▸ POLB P06746 1/20 0.47
▸ ALPI P09923 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ XIAP P98170 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.47
▸ DNMT1 P26358 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL9065198 1.00 KIF11 (0.49) KIF11KYNUPOLBALPIPKM
SCHEMBL6223407 0.79 MAOA (0.57) KIF11ALPIPKMPTGS1XIAP
SCHEMBL1157625 0.79 MAOA (0.57) KIF11ALPIPKMPTGS1XIAP
SCHEMBL342512 0.79 MAOA (0.57) KIF11ALPIPKMPTGS1XIAP
SCHEMBL25766501 0.79 KIF11 (0.46) KIF11POLBDNMT1
SCHEMBL29180223 0.78 CPA3 (0.49) POLBHSD17B10
SCHEMBL759475 0.78 CPA1 (0.49) POLBHSD17B10
SCHEMBL7819718 0.78 MAOA (0.55) KIF11ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL3319856 0.78 MAOA (0.55) KIF11ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL10981166 0.78 MAOA (0.55) KIF11ALPIPKMPTGS1XIAP

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
US-3976781-A SULFUR CONTAINING AMINES L'OREAL (FR) 1976-08-24 — — US claimed
CN-117551707-A Preparation method of S-substituted cysteine, AMA derivative and preparation method thereof 中国药科大学 2024-02-13 — — CN disclosed
EP-3067430-B1 METHOD FOR PRODUCING D-FORM OR L-FORM AMINO ACID DERIVATIVE HAVING THIOL GROUP GLYTECH INC (JP) 2020-08-12 — — EP disclosed
WO-2019006384-A1 TREATMENT OF ANEURYSMS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2019-01-03 — — WO disclosed
CN-100413972-C Enzymatic process for preparing substituted 2-amino-3- (2-amino-thiophenyl) -propionic acids HOFFMANN LA ROCHE (CH) 2008-08-27 — — CN disclosed
EP-1434870-B1 ENZYMATIC PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-AMINO-3-(2-AMINO-PHENYLSULFANYL)-PROPIONIC ACID HOFFMANN LA ROCHE (CH) 2006-12-27 — — EP disclosed
EP-1434870-B1 ENZYMATIC PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-AMINO-3-(2-AMINO-PHENYLSULFANYL)-PROPIONIC ACID HOFFMANN LA ROCHE (CH) 2006-12-27 — — EP disclosed
US-7011960-B2 Substituted 2-amino-3-(2-amino-phenylsulfanyl)-propionic acids HOFFMANN-LA ROCHE INC. (US) 2006-03-14 — — US disclosed
US-7011960-B2 Substituted 2-amino-3-(2-amino-phenylsulfanyl)-propionic acids HOFFMANN-LA ROCHE INC. (US) 2006-03-14 — — US disclosed
CN-1553959-A Enzymatic process for preparing substituted 2-amino-3- (2-amino-thiophenyl) -propionic acids - 2004-12-08 — — CN disclosed
EP-1434870-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-AMINO-3-(2-AMINO-PHENYLSULFANYL)-PROPIONIC ACID F. HOFFMANN-LA ROCHE AG (CH) 2004-07-07 — — EP disclosed
EP-1434870-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-AMINO-3-(2-AMINO-PHENYLSULFANYL)-PROPIONIC ACID F. HOFFMANN-LA ROCHE AG (CH) 2004-07-07 — — EP disclosed
US-20030119152-A1 Substituted 2-amino-3- (2-amino-phenylsulfanyl) -propionic acids HOFFMANN-LA ROCHE INC. 2003-06-26 — — US disclosed
US-20030119152-A1 Substituted 2-amino-3- (2-amino-phenylsulfanyl) -propionic acids HOFFMANN-LA ROCHE INC. 2003-06-26 — — US disclosed
WO-2003029477-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-AMINO-3-(2-AMINO-PHENYLSULFANYL)-PROPIONIC ACID F. HOFFMANN-LA ROCHE AG (CH) 2003-04-10 — — WO disclosed
WO-2003029477-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-AMINO-3-(2-AMINO-PHENYLSULFANYL)-PROPIONIC ACID F. HOFFMANN-LA ROCHE AG (CH) 2003-04-10 — — WO 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 (1 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-20030119152-A1 Substituted 2-amino-3- (2-amino-phenylsulfanyl) -propionic acids CCKAR, AGTR1, AGTR2 KIF11 3516/4885KYNU 531/4885POLB 3553/4885

“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.

Send feedback