SCHEMBL718987

SCHEMBL718987

CC1=NS(=O)(=O)c2cc(Cl)c(Cl)cc2N1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.71
TSHR P16473 3/20 0.71
ALDH1A1 P00352 2/20 0.71
CYP2D6 P10635 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
LMNA P02545 2/20 0.71
CYP1A2 P05177 1/20 0.71
THRB P10828 1/20 0.71
ABCC8 Q09428 1/20 0.71
KCNJ11 Q14654 1/20 0.71
CA1 P00915 3/20 0.54
CA12 O43570 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NR1I2 O75469 1/20 0.36
ABCB11 O95342 1/20 0.36
ADRA2A P08913 1/20 0.36

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
SCHEMBL718730 0.90 CYP3A4 (0.67) CYP3A4TSHRALDH1A1CYP2D6SMN1; SMN2
SCHEMBL5624381 0.87 CYP3A4 (0.63) CYP3A4TSHRALDH1A1CYP2D6SMN1; SMN2
SCHEMBL11803171 0.87 CYP3A4 (0.63) CYP3A4TSHRALDH1A1CYP2D6SMN1; SMN2
Diazoxide SCHEMBL41255 0.83 ABCC8 (1.00) CYP3A4TSHRALDH1A1CYP2D6SMN1; SMN2
Diazoxide SCHEMBL31112206 0.83 ABCC8 (1.00) CYP3A4TSHRALDH1A1CYP2D6SMN1; SMN2
SCHEMBL721585 0.81 ABCC8 (0.79) CYP3A4TSHRALDH1A1CYP2D6SMN1; SMN2
SCHEMBL8626914 0.78 ALDH1A1 (0.60) CYP3A4TSHRALDH1A1CYP2D6SMN1; SMN2
SCHEMBL7601849 0.75 CA1 (0.64) CYP3A4TSHRALDH1A1CYP2D6SMN1; SMN2
SCHEMBL7604772 0.75 ALDH1A1 (0.71) CYP3A4TSHRALDH1A1CYP2D6SMN1; SMN2
SCHEMBL717822 0.74 CYP3A4 (0.42) CYP3A4TSHRALDH1A1CYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160361298-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER GLOBAVIR BIOSCIENCES, INC. 2016-12-15 US disclosed
US-20120053172-A1 USE OF A COMBINATION OF DIAZOXIDE AND METFORMIN FOR TREATING OBESITY OR OBESITY RELATED DISORDERS COOPERATIEVE MIRZORG U.A. 2012-03-01 US disclosed
US-20100234362-A1 USE OF DIAZOXIDE FOR SUPPRESSING THE PLASMA INSULIN LEVEL IN A MAMMAL COOPERATIEVE MIRZORG U.A. (NL) 2010-09-16 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 (3 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-20120053172-A1 USE OF A COMBINATION OF DIAZOXIDE AND METFORMIN FOR TREATING OBESITY OR OBESITY RELATED DISORDERS GPR119, KCNJ1, GLP1R CYP3A4 2309/4885TSHR 891/4885ALDH1A1 1266/4885
US-20100234362-A1 USE OF DIAZOXIDE FOR SUPPRESSING THE PLASMA INSULIN LEVEL IN A MAMMAL KCNN4, KCNN1, GPR119 CYP3A4 1361/4885TSHR 1048/4885ALDH1A1 1627/4885
US-20160361298-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER IDO2, IDO1, TDO2 CYP3A4 3365/4885TSHR 3584/4885ALDH1A1 977/4885

“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.