SCHEMBL401412

SCHEMBL401412

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.37
BLM P54132 1/20 0.37
HSPE1 P61604 1/20 0.37
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FFAR3 O14843 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 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
SCHEMBL4432763 0.87 HSPD1 (0.31) HSPD1BLMHSPE1
SCHEMBL28656014 0.78 ALDH1A1 (0.37) HSPD1BLMHSPE1ALDH1A1MEN1
SCHEMBL1122815 0.74 HSPD1 (0.34) HSPD1BLMHSPE1ALDH1A1MEN1
SCHEMBL11852978 0.74 FFAR3 (0.35) ALDH1A1MEN1KMT2AFFAR3MAPT
SCHEMBL29240848 0.73 CHRM1 (0.35) HSPD1BLMHSPE1FFAR3CA2
SCHEMBL29174 0.73 HSPD1 (0.36) HSPD1BLMHSPE1ALDH1A1MEN1
SCHEMBL29139332 0.73 HSPD1 (0.33) HSPD1BLMHSPE1MEN1KMT2A
SCHEMBL315984 0.73 HSPD1 (0.44) HSPD1BLMHSPE1ALDH1A1MEN1
SCHEMBL891403 0.73 HSPD1 (0.44) HSPD1BLMHSPE1ALDH1A1MEN1
SCHEMBL8170463 0.73 CA2 (0.35) HSPD1BLMHSPE1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1049087-C Solid agrochemical composition TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-02-09 CN claimed
US-8663722-B2 Removal of pesticide residues in food by ionizing radiation KING ABDDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2014-03-04 US disclosed
US-8476482-B2 Removal of pesticide residues in food by ionizing radiation KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2013-07-02 US disclosed
US-20130129877-A1 REMOVAL OF PESTICIDE RESIDUES IN FOOD BY IONIZING RADIATION KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2013-05-23 US disclosed
US-8138366-B2 Process for the preparation of malathion and its intermediate SUVEN LIFE SCIENCES LIMITED (IN) 2012-03-20 US disclosed
US-20120021103-A1 REMOVAL OF PESTICIDE RESIDUES IN FOOD BY IONIZING RADIATION KING ABDULAZIZ CITY SCIENCE AND TECHNOLOGY (SA) 2012-01-26 US disclosed
US-20100204501-A1 PROCESS FOR THE PREPARATION OF MALATHION AND ITS INTERMEDIATE SUVEN LIFE SCIENCES LIMITED (IN) 2010-08-12 US disclosed
EP-2170078-A1 PROCESS FOR THE PREPARATION OF MALATHION AND ITS INTERMEDIATE Suven Life Sciences Limited (IN) 2010-04-07 EP disclosed
WO-2009007998-A1 PROCESS FOR THE PREPARATION OF MALATHION AND ITS INTERMEDIATE SUVEN LIFE SCIENCES LIMITED (IN) 2009-01-15 WO disclosed
CN-1049087-C Solid agrochemical composition TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-02-09 CN disclosed
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0289909-B1 ALL AQUEOUS FORMULATIONS OF ORGANO-PHOSPHOROUS PESTICIDES BASF Corporation (US) 1992-09-16 EP disclosed
US-4851217-A All aqueous formulations of organo-phosphorous pesticides BASF CORPORATION (US) 1989-07-25 US disclosed
CN-88102167-A SOLID AGROCHEMICAL COMPOSITION 1988-10-26 CN disclosed
US-4366103-A TRIALKYL PHOSPHOROTRITHIOITES, ALIPHATIC OR CYCLOALIPHATIC KETONES RHONE-POULENC AGROCHIMIE (FR) 1982-12-28 US disclosed
US-4340608-A Insecticidal pyrethroid compositions AMERICAN CYANAMID COMPANY (US) 1982-07-20 US disclosed
US-4340608-A Insecticidal pyrethroid compositions AMERICAN CYANAMID COMPANY (US) 1982-07-20 US disclosed
US-4087523-A 2,2-DIMETHYL-4,5-BENZOSPIRO(2,4)HEPTA-4,6-DIENE-1-CARBOXYLIC ACID, ALPHA-CYANO-M-PHENOXYBENZYL ESTER; N'-(4-CHLORO-O-TOLYL)-N,N-DIMETHYLFORMAMIDINE AMERICAN CYANAMID COMPANY (US) 1978-05-02 US disclosed
US-4087523-A 2,2-DIMETHYL-4,5-BENZOSPIRO(2,4)HEPTA-4,6-DIENE-1-CARBOXYLIC ACID, ALPHA-CYANO-M-PHENOXYBENZYL ESTER; N'-(4-CHLORO-O-TOLYL)-N,N-DIMETHYLFORMAMIDINE AMERICAN CYANAMID COMPANY (US) 1978-05-02 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-20100204501-A1 PROCESS FOR THE PREPARATION OF MALATHION AND ITS INTERMEDIATE DDT, DHODH, MPST HSPD1 2487/4885BLM 3802/4885HSPE1 2135/4885

“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.