SCHEMBL2026702

SCHEMBL2026702

[NH]S(=O)(=O)C1CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.57
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
IDO1 P14902 2/20 0.43
PDPK1 O15530 1/20 0.43
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
CYP11B2 P19099 1/20 0.41
PIN1 Q13526 1/20 0.39
ACP3 P15309 1/20 0.39
SRD5A1 P18405 2/20 0.38
KDM1A O60341 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
SCHEMBL9441442 0.89 HTR6 (0.46) HTR6CA1CA2IDO1
SCHEMBL16242806 0.81 HTR6 (0.57) HTR6CA1CA2IDO1PDPK1
SCHEMBL731798 0.81 HTR6 (0.61) HTR6CA1CA2IDO1PDPK1
SCHEMBL2319101 0.81 HTR6 (0.57) HTR6CA1CA2IDO1PDPK1
SCHEMBL29207366 0.79 HTR6 (0.55) HTR6CA1CA2IDO1PDPK1
SCHEMBL11784556 0.78 HTR6 (0.77) HTR6CA1CA2IDO1PDPK1
SCHEMBL23832880 0.77 HTR6 (0.53) HTR6CA1CA2IDO1PDPK1
SCHEMBL20168950 0.76 HTR6 (0.51) HTR6CA1CA2IDO1PDPK1
SCHEMBL3243357 0.74 HTR6 (0.50) HTR6CA1CA2IDO1PDPK1
SCHEMBL11783908 0.73 HTR6 (0.73) HTR6CA1CA2PDPK1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276031-A Method for treating renal disease ABBOTT LABORATORIES (US) 1994-01-04 US claimed
US-5268374-A Containing both amide and hydroxy groups ABBOTT LABORATORIES (US) 1993-12-07 US claimed
US-8598367-B2 Nitrogen-containing heterocyclic compound and pest control agent NIPPON SODA CO., LTD. (JP) 2013-12-03 US disclosed
US-20130137876-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2013-05-30 US disclosed
US-20110166358-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2011-07-07 US disclosed
EP-2332927-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT Nippon Soda Co., Ltd. (JP) 2011-06-15 EP 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-20130137876-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT CBR3, CBR1, NOXO1 HTR6 4280/4885CA1 1116/4885CA2 366/4885
US-20110166358-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT CBR3, CBR1, NOXO1 HTR6 4280/4885CA1 1116/4885CA2 366/4885

“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.