SCHEMBL16379693

SCHEMBL16379693

N#Cc1ccc(S(N)(=O)=O)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.49
SLC22A12 Q96S37 1/20 0.48
PGR P06401 1/20 0.47
KIF11 P52732 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 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
SCHEMBL13211348 0.83 AR (0.51) ARSLC22A12PGRKIF11
SCHEMBL1762353 0.83 TRPV4 (0.50) ARSLC22A12PGR
SCHEMBL30105299 0.83 TRPV4 (0.50) ARSLC22A12PGR
Hydrochloric Acid SCHEMBL28333364 0.82 AR (0.51) ARSLC22A12PGR
SCHEMBL21335068 0.81 SLC22A12 (0.52) ARSLC22A12PGR
SCHEMBL8488892 0.80 AR (0.51) ARSLC22A12PGR
SCHEMBL17776383 0.80 KIF11 (0.51) ARSLC22A12PGRKIF11
SCHEMBL7082554 0.78 KIF11 (0.59) KIF11CA12CA1CA2CA9
SCHEMBL23579849 0.77 CA2 (0.56) CA12CA1CA2CA9
SCHEMBL23877136 0.77 AR (0.51) ARPGR

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-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
WO-2014210436-A2 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (US) 2014-12-31 WO 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-20190352291-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRM1 AR 593/4885SLC22A12 2376/4885PGR 570/4885
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRL1 AR 382/4885SLC22A12 2796/4885PGR 397/4885
US-10407416-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRL1 AR 382/4885SLC22A12 2796/4885PGR 397/4885

“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.