SCHEMBL10048522

SCHEMBL10048522

CCOC(=O)CC(SP(=S)(CO)CO)C(=O)OCC

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
CYP3A4 P08684 2/20 0.68
ALOX15 P16050 2/20 0.68
HSD17B10 Q99714 2/20 0.68
CHRM1 P11229 1/20 0.68
ADORA1 P30542 1/20 0.68
TSHR P16473 3/20 0.60
TDP1 Q9NUW8 1/20 0.60
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TRPA1 O75762 1/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.32
ADAM17 P78536 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL13764654 0.84 ALDH1A1 (0.64) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1
SCHEMBL1692139 0.83 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1
SCHEMBL10109460 0.83 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1
Malathion SCHEMBL124812 0.81 ALDH1A1 (1.00) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1
Malathion SCHEMBL3705116 0.81 ALDH1A1 (1.00) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1
Malathion SCHEMBL27358 0.81 ALDH1A1 (1.00) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1
SCHEMBL10636209 0.81 ALDH1A1 (0.77) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1
Malathion SCHEMBL21693725 0.79 ALDH1A1 (0.97) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1
SCHEMBL30502495 0.79 ALDH1A1 (0.75) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1
SCHEMBL1691985 0.79 ALDH1A1 (0.66) ALDH1A1CYP3A4ALOX15HSD17B10CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150158893-A1 PROCESS FOR PREPARING MALATHION FOR PHARMACEUTICAL USE TARO PHARMACEUTICALS NORTH AMERICA, INC. (KY) 2015-06-11 US disclosed
US-8957238-B2 Process for preparing malathion for pharmaceutical use TARO PHARMACEUTICALS NORTH AMERICA, INC. (KY) 2015-02-17 US disclosed
US-8536155-B2 Process for preparing malathion for pharmaceutical use TARO PHARMACEUTICALS NORTH AMERICA, INC. (KY) 2013-09-17 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-20120010175-A1 PROCESS FOR PREPARING MALATHION FOR PHARMACEUTICAL USE TARO PHARMACEUTICALS NORTH AMERICA, INC. (IE) 2012-01-12 US disclosed
US-20110207707-A1 Compounds That Act To Modulate Insect Growth And Methods And Systems For Identifying Such Compounds THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO 2011-08-25 US disclosed
US-20100204501-A1 PROCESS FOR THE PREPARATION OF MALATHION AND ITS INTERMEDIATE SUVEN LIFE SCIENCES LIMITED (IN) 2010-08-12 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 (4 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-20150158893-A1 PROCESS FOR PREPARING MALATHION FOR PHARMACEUTICAL USE MSMO1, DDO, DCPS ALDH1A1 1780/4885CYP3A4 55/4885ALOX15 401/4885
US-20110207707-A1 Compounds That Act To Modulate Insect Growth And Methods And Systems For Identifying Such Compounds FXR2, FXR1, NR1H2 ALDH1A1 4418/4885CYP3A4 1709/4885ALOX15 1397/4885
US-20100204501-A1 PROCESS FOR THE PREPARATION OF MALATHION AND ITS INTERMEDIATE DDT, DHODH, MPST ALDH1A1 236/4885CYP3A4 6/4885ALOX15 589/4885
US-20120010175-A1 PROCESS FOR PREPARING MALATHION FOR PHARMACEUTICAL USE MSMO1, DDO, DCPS ALDH1A1 1780/4885CYP3A4 55/4885ALOX15 401/4885

“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.