SCHEMBL21768438

SCHEMBL21768438

CS(=O)(=O)Cc1ccncc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.39
CA1 P00915 6/20 0.39
PARP1 P09874 1/20 0.38
AOC1 P19801 3/20 0.37
AOC3 Q16853 3/20 0.37
CA12 O43570 6/20 0.37
CA9 Q16790 6/20 0.37
CA14 Q9ULX7 5/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
PTGS1 P23219 4/20 0.36
PTGS2 P35354 3/20 0.36
AXL P30530 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL21780679 0.79 AOC1 (0.38) CA2CA1AOC1AOC3CA12
SCHEMBL793614 0.78
SCHEMBL31651759 0.78
SCHEMBL21383722 0.77 CA12 (0.36) CA2CA1PARP1AOC1AOC3
SCHEMBL1271423 0.75 SLC22A12 (0.41) PTGS1PTGS2CYP3A4
SCHEMBL19105567 0.75 AOC1 (0.36) CA2CA1AOC1AOC3CA12
SCHEMBL27721042 0.74
SCHEMBL15810238 0.74 SLC22A12 (0.43) AOC1AOC3OPRM1OPRL1PTGS1
SCHEMBL19145209 0.73 ALDH1A1 (0.35) CA2CA1AOC1AOC3OPRM1
SCHEMBL1272238 0.73 CYP17A1 (0.45) OPRM1OPRL1PTGS2CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
EP-3722284-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-10-14 EP disclosed
EP-3402781-B1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 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 (1 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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 CA2 2068/4885CA1 4166/4885PARP1 782/4885

“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.