SCHEMBL720640

SCHEMBL720640

CCC1=NS(=O)(=O)c2cc(Cl)ccc2N1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
THRB P10828 2/20 0.66
ABCC8 Q09428 2/20 0.66
KCNJ11 Q14654 2/20 0.66
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2D6 P10635 2/20 0.66
TSHR P16473 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
LMNA P02545 1/20 0.66
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
HTR1A P08908 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL16983458 0.84 ALDH1A1 (0.61) ALDH1A1THRBABCC8KCNJ11CYP1A2
SCHEMBL28022581 0.82 CA12 (0.45) ALDH1A1THRBABCC8KCNJ11CYP1A2
SCHEMBL7950622 0.80 ABCC8 (0.73) ALDH1A1THRBABCC8KCNJ11CYP1A2
Diazoxide SCHEMBL31112206 0.80 ABCC8 (1.00) ALDH1A1THRBABCC8KCNJ11CYP1A2
Diazoxide SCHEMBL41255 0.80 ABCC8 (1.00) ALDH1A1THRBABCC8KCNJ11CYP1A2
SCHEMBL14095645 0.78 CA12 (0.62) ALDH1A1THRBCYP1A2CYP3A4SMN1; SMN2
SCHEMBL7952959 0.77 ABCC8 (0.59) ALDH1A1THRBABCC8KCNJ11CYP1A2
SCHEMBL7950864 0.76 ABCC8 (0.66) ALDH1A1THRBABCC8KCNJ11CYP1A2
SCHEMBL719010 0.75 NPC1 (0.47) ALDH1A1THRBABCC8KCNJ11CYP1A2
SCHEMBL7957631 0.75 ABCC8 (0.57) ALDH1A1THRBABCC8KCNJ11CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 ALDH1A1 1266/4885THRB 647/4885ABCC8 317/4885
US-20100234362-A1 USE OF DIAZOXIDE FOR SUPPRESSING THE PLASMA INSULIN LEVEL IN A MAMMAL KCNN4, KCNN1, GPR119 ALDH1A1 1627/4885THRB 787/4885ABCC8 524/4885

“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.