SCHEMBL19787562

SCHEMBL19787562

N#Cc1ccc(S(=O)(=O)NI)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.59
IDO1 P14902 3/20 0.54
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
KDM1A O60341 1/20 0.50
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD11B1 P28845 1/20 0.47
MMP1 P03956 2/20 0.46
MMP2 P08253 2/20 0.46
MMP3 P08254 2/20 0.46
MMP7 P09237 2/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL13590961 0.84 CYP19A1 (0.61) CYP19A1IDO1CA1CA2CA12
SCHEMBL2495472 0.81 CYP19A1 (0.58) CYP19A1IDO1CA1CA2CA12
SCHEMBL9245490 0.81 CYP19A1 (0.58) CYP19A1IDO1CA1CA2CA12
SCHEMBL4613144 0.81 CYP19A1 (0.58) CYP19A1IDO1CA1CA2CA12
SCHEMBL422400 0.81 CYP19A1 (0.58) CYP19A1IDO1CA1CA2CA12
SCHEMBL20256301 0.81 CYP19A1 (0.58) CYP19A1IDO1CA1CA2CA12
SCHEMBL5333725 0.79 CYP19A1 (0.56) CYP19A1IDO1CA1CA2CA12
SCHEMBL21800158 0.79 CYP19A1 (0.56) CYP19A1IDO1CA1CA2CA12
SCHEMBL5333727 0.78 CYP19A1 (0.54) CYP19A1IDO1CA1CA2CA12
SCHEMBL13623391 0.78 CYP19A1 (0.54) CYP19A1IDO1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11111214-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2021-09-07 US disclosed
US-20190352291-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2019-11-21 US disclosed
US-10407416-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2019-09-10 US disclosed
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2018-01-18 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-20190352291-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRM1 CYP19A1 678/4885IDO1 1118/4885CA1 3194/4885
US-11111214-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRM1 CYP19A1 691/4885IDO1 1095/4885CA1 3244/4885
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRL1 CYP19A1 874/4885IDO1 1475/4885CA1 3457/4885
US-10407416-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRL1 CYP19A1 874/4885IDO1 1475/4885CA1 3457/4885

“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.