SCHEMBL721406

SCHEMBL721406

CC1=NS(=O)(=O)c2ccc(C(F)(F)F)cc2N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
THRB P10828 1/20 0.54
TSHR P16473 1/20 0.54
ABCC8 Q09428 1/20 0.54
KCNJ11 Q14654 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RELA Q04206 4/20 0.39
NFKBIA P25963 2/20 0.39
MAPT P10636 3/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL721599 0.81 MEN1 (0.38) CA1CA2CA12CA9ALDH1A1
SCHEMBL8284063 0.80 CA1 (0.60) CA1CA2CA12CA9ALDH1A1
SCHEMBL720597 0.79 MEN1 (0.36) CA1CA2CA12CA9ALDH1A1
SCHEMBL7601849 0.79 CA1 (0.64) CA1CA2CA12CA9ALDH1A1
SCHEMBL7953046 0.78 CA1 (0.35) CA1CA2CA12CA9ALDH1A1
SCHEMBL720214 0.75 CA1 (0.38) CA1CA2CA12CA9ALDH1A1
SCHEMBL6687431 0.75 TP53 (0.39) ALDH1A1LMNACYP1A2SMN1; SMN2MAPT
SCHEMBL8286620 0.73 CA12 (0.55) CA1CA2CA12CA9ALDH1A1
SCHEMBL8286623 0.73 CA12 (0.55) CA1CA2CA12CA9ALDH1A1
SCHEMBL31563623 0.73 CA12 (0.55) CA1CA2CA12CA9ALDH1A1

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 CA1 3123/4885CA2 544/4885CA12 4023/4885
US-20100234362-A1 USE OF DIAZOXIDE FOR SUPPRESSING THE PLASMA INSULIN LEVEL IN A MAMMAL KCNN4, KCNN1, GPR119 CA1 2370/4885CA2 563/4885CA12 3623/4885

“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.