SCHEMBL13160656

SCHEMBL13160656

CC(C)(C)OC(=O)NC(C(=O)N1CCCC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
CXCR1 P25024 1/20 0.40
P2RX7 Q99572 7/20 0.39
KLRK1 P26718 2/20 0.39
MICA Q29983 2/20 0.39
RAET1L Q5VY80 2/20 0.39
S1PR3 Q99500 1/20 0.38
TACR1 P25103 2/20 0.38
ADRB3 P13945 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL16333118 1.00 CXCR2 (0.43) CXCR2CTSSCTSKCXCR1P2RX7
SCHEMBL864493 0.87 DPP4 (0.46) CXCR2
SCHEMBL864492 0.87 DPP4 (0.46) CXCR2
SCHEMBL5556840 0.84 CXCR2 (0.50) CXCR2CTSSCTSKCXCR1S1PR3
SCHEMBL20434046 0.83 CTSS (0.55) CTSSCTSKKLRK1MICARAET1L
SCHEMBL8665768 0.82 CXCR2 (0.48) CXCR2CTSSCTSKCXCR1S1PR3
SCHEMBL13808587 0.82 CXCR2 (0.48) CXCR2CTSSCTSKCXCR1S1PR3
SCHEMBL864087 0.82 CYP3A4 (0.44)
SCHEMBL864086 0.82 CYP3A4 (0.44)
SCHEMBL5445090 0.82 CTSS (0.54) CTSSCTSKKLRK1MICARAET1L

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 15 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
EP-3013812-B1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (US) 2019-10-16 EP disclosed
EP-3013812-B1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (US) 2019-10-16 EP disclosed
US-10407416-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2019-09-10 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
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2018-01-18 US disclosed
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2018-01-18 US disclosed
US-9815824-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2017-11-14 US disclosed
US-20160145245-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2016-05-26 US disclosed
EP-3013812-A2 KAPPA OPIOID AGONISTS AND USES THEREOF Nektar Therapeutics (US) 2016-05-04 EP disclosed
WO-2014210436-A2 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (US) 2014-12-31 WO disclosed
WO-2014210436-A2 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (US) 2014-12-31 WO disclosed
WO-2010103333-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 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 (5 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-20160145245-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRM1 CXCR2 1158/4885CTSS 2650/4885CTSK 1903/4885
US-20190352291-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRM1 CXCR2 1158/4885CTSS 2650/4885CTSK 1903/4885
US-11111214-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRM1 CXCR2 1097/4885CTSS 2692/4885CTSK 1939/4885
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRL1 CXCR2 711/4885CTSS 2801/4885CTSK 2741/4885
US-10407416-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRL1 CXCR2 711/4885CTSS 2801/4885CTSK 2741/4885

“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.