SCHEMBL3930895

SCHEMBL3930895

O=C(O)CC(S)(CC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 2/20 0.46
TSHR P16473 2/20 0.46
CYP2D6 P10635 1/20 0.46
HMGCR P04035 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
ACLY P53396 3/20 0.39
CPT2 P23786 2/20 0.37
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
FFAR1 O14842 1/20 0.35
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
LMNA P02545 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL28777934 0.86 ALDH1A1 (0.42) ALDH1A1CYP2C19HIF1ATSHRCYP2D6
SCHEMBL11211995 0.84 CYP2D6 (0.44) ALDH1A1CYP2C19HIF1ATSHRCYP2D6
SCHEMBL27323864 0.82 ALDH1A1 (0.39) ALDH1A1CYP2C19HIF1ATSHRCYP2D6
Guanidine SCHEMBL27765381 0.80 CYP2C19 (0.37) ALDH1A1CYP2C19HIF1ATSHRCYP2D6
SCHEMBL11583210 0.78 ALDH1A1 (0.37) ALDH1A1CYP2C19HIF1ATSHRCYP2D6
SCHEMBL2128732 0.76
SCHEMBL14940 0.75 ALDH1A1 (0.55) ALDH1A1CYP2C19HIF1ATSHRCYP2D6
SCHEMBL4165620 0.73
SCHEMBL8721139 0.73 ALDH1A1 (0.52) ALDH1A1CYP2C19HIF1ATSHRCYP2D6
SCHEMBL10797042 0.73 ALDH1A1 (0.52) ALDH1A1CYP2C19HIF1ATSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101878065-B Method for preparing a reforming catalyst including a substrate, a metal of group VIIIB and a metal of group VIIB INST FRANCAIS DU PETROLE 2013-12-11 CN claimed
US-8569197-B2 Process for preparing a reforming catalyst comprising a support, a group VIIIB metal and a group VIIB metal IFP Energies Nouvelles (FR) 2013-10-29 US claimed
EP-2222399-B1 METHOD FOR PREPARING A REFORMING CATALYST INCLUDING A SUBSTRATE, A METAL OF GROUP VIII AND A METAL OF GROUP VIIB IFP Energies Nouvelles (FR) 2013-09-18 EP claimed
CN-101878065-A Method for preparing a reforming catalyst including a substrate, a metal of group VIIIB and a metal of group VIIB INST FRANCAIS DU PETROLE 2010-11-03 CN claimed
US-20090143224-A1 PROCESS FOR PREPARING A REFORMING CATALYST COMPRISING A SUPPORT, A GROUP VIIIB METAL AND A GROUP VIIB METAL IFP (FR) 2009-06-04 US claimed
EP-0509382-B1 Biodegradable bleach stabilizers for detergents HAMPSHIRE CHEMICAL CORP (US) 1998-11-04 EP claimed
EP-0513948-B1 Hard-surface cleaning compositions containing biodegradable chelants HAMPSHIRE CHEMICAL CORP (US) 1998-08-12 EP claimed
US-5362412-A Aminoacids or sulfonates or sulfides with acids or sulfonates HAMPSHIRE CHEMICAL CORP. (US) 1994-11-08 US claimed
US-5330588-A Organic-aqueous composition and process for forming corrosion-resistant coatings on metal surfaces E2KI & ASSOCIATES INC. (US) 1994-07-19 US claimed
EP-0513948-A2 Hard-surface cleaning compositions containing biodegradable chelants HAMPSHIRE CHEMICAL CORPORATION (US) 1992-11-19 EP claimed
EP-0509382-A2 Biodegradable bleach stabilizers for detergents HAMPSHIRE CHEMICAL CORPORATION (US) 1992-10-21 EP claimed
US-4711735-A Coolant additive with corrosion inhibitive and scale preventative properties GULLEY HAROLD J (US) 1987-12-08 US claimed
US-4196271-A 2-CYANOACRYLATE, POLYCARBOXYLIC ACID IMPACT STRENGTH IMPROVER TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1980-04-01 US claimed
US-3998759-A A CARRIER COMMINGLED WITH A METAL COMPOUND AND A SULFUR-CONTAINING CARBOXYLIC ACID UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-12-21 US claimed
US-3972829-A Method of depositing a catalytically active metallic component on a carrier material UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-08-03 US claimed
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-4196271-A 2-CYANOACRYLATE, POLYCARBOXYLIC ACID IMPACT STRENGTH IMPROVER TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1980-04-01 US disclosed
US-3998759-A A CARRIER COMMINGLED WITH A METAL COMPOUND AND A SULFUR-CONTAINING CARBOXYLIC ACID UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-12-21 US disclosed
US-3972829-A Method of depositing a catalytically active metallic component on a carrier material UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-08-03 US 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-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 ALDH1A1 1469/4885CYP2C19 372/4885HIF1A 1596/4885

“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.