SCHEMBL431235

SCHEMBL431235

N[C@@H](CS)C(=O)OS(=O)(=O)OC(=O)[C@@H](N)CS

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
SLC7A11 Q9UPY5 1/20 0.46
ENPEP Q07075 4/20 0.32
ANPEP P15144 2/20 0.31

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
SCHEMBL3966592 0.84 PTGS1 (0.44) PTGS1SLC7A11ENPEPANPEP
Water SCHEMBL7728534 0.83 PTGS1 (0.43) PTGS1SLC7A11ENPEP
SCHEMBL16499981 0.83 PTGS1 (0.43) PTGS1SLC7A11ENPEP
Ammonia Solution, Strong SCHEMBL8817356 0.83 PTGS1 (0.43) PTGS1SLC7A11ENPEP
SCHEMBL11754315 0.81 PTGS1 (0.41) PTGS1SLC7A11ENPEP
SCHEMBL5164474 0.78 PTGS1 (0.39) PTGS1SLC7A11
SCHEMBL6231528 0.78 PTGS1 (0.43) PTGS1SLC7A11ENPEPANPEP
SCHEMBL29152126 0.77 GCLC (0.35)
SCHEMBL1964879 0.75 PTGS1 (0.55) PTGS1SLC7A11ENPEPANPEP
SCHEMBL20657045 0.75 PTGS1 (0.55) PTGS1SLC7A11ENPEPANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641351-B1 COMPOSITIONS AND METHODS FOR DECREASING AGE-RELATED DETERIORATION IN MENTAL ACTIVITIES IN COMPANION ANIMALS HILLS PET NUTRITION INC (US) 2014-06-04 EP claimed
US-4396763-A ANTITUMOR AGENTS MEIJI MILK PRODUCTS COMPANY LIMITED (JP) 1983-08-02 US claimed
JP-54041315-A None JP disclosed
JP-63101400-A None JP disclosed
JP-63101392-A None JP disclosed
JP-1191694-A None JP disclosed
US-12037645-B2 Methods of detecting cancer IMMUNIS.AI, INC. (US) 2024-07-16 US disclosed
EP-4381091-A2 COMPOSITIONS AND METHODS FOR DETECTING PROSTATE CANCER Immunis.AI, Inc. (US) 2024-06-12 EP disclosed
EP-4075139-B1 METHODS OF DETECTING PROSTATE CANCER IMMUNIS AI INC (US) 2024-05-22 EP disclosed
US-20240158863-A1 METHODS OF DETECTING SIGNATURES OF DISEASE OR CONDITIONS IN BODILY FLUIDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-05-16 US disclosed
EP-4303584-A2 METHODS FOR DETECTING SIGNATURES OF DISEASE OR CONDITIONS IN BODILY FLUIDS President and Fellows of Harvard College (US) 2024-01-10 EP disclosed
EP-0859788-A1 HELICOBACTER PYLORI PROTEIN Cortecs International Limited (AU) 1998-08-26 EP disclosed
WO-1997012910-A1 HELICOBACTER PYLORI PROTEIN CORTECS INTERNATIONAL LIMITED (AU) 1997-04-10 WO disclosed
EP-0331821-B1 ANTIVIRAL AGENT KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-05-19 EP disclosed
EP-0331821-A1 Antiviral agent KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-09-13 EP disclosed
JP-H01191694-A SUBSTANCE HAVING ANTITUMOR ACTIVITY SAGAMI CHEM RES CENTER 1989-08-01 JP disclosed
JP-S63101392-A ANTITUMOR INGREDIENT SPF-PCO-30 UDAKA JUZO 1988-05-06 JP disclosed
JP-S63101400-A ANTITUMOR INGREDIENT SPF-PCO-20 UDAKA JUZO 1988-05-06 JP disclosed
US-4396763-A ANTITUMOR AGENTS MEIJI MILK PRODUCTS COMPANY LIMITED (JP) 1983-08-02 US disclosed
JP-S5441315-A ANTI-TUMOR SUBSTANCE AND ITS PREPARATION MICROBIAL CHEM RES FOUND 1979-04-02 JP disclosed