SCHEMBL4831446

SCHEMBL4831446

CS(=O)(=O)n1ccc2cc(Br)cnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 4/20 0.47
ENPP1 P22413 3/20 0.47
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
HTR6 P50406 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FGFR1 P11362 2/20 0.38
FGFR4 P22455 2/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
CYP2C19 P33261 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
PKM P14618 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FABP4 P15090 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL19145739 0.82 RAPGEF4 (0.43) ENPP3ENPP1OPRM1OPRL1HTR6
SCHEMBL13199790 0.80 PKM (0.52) ENPP3ENPP1HTR6FGFR1FGFR4
SCHEMBL1713486 0.80 L3MBTL1 (0.61) ENPP3ENPP1HTR6RAPGEF4L3MBTL1
SCHEMBL19250498 0.79 ENPP3 (0.41) ENPP3ENPP1HSD17B10FGFR1FGFR4
SCHEMBL1359397 0.79 CYP2C19 (0.61) ENPP3ENPP1HTR6RAPGEF4L3MBTL1
SCHEMBL19105580 0.78 OPRM1 (0.39) ENPP3ENPP1OPRM1OPRL1HTR6
SCHEMBL20388883 0.78 OPRM1 (0.39) ENPP3ENPP1OPRM1OPRL1HTR6
SCHEMBL18549192 0.77 ENPP3 (0.46) ENPP3ENPP1HTR6RAPGEF4L3MBTL1
SCHEMBL17165072 0.77 PKM (0.45) ENPP3ENPP1HTR6RAPGEF4L3MBTL1
SCHEMBL18549257 0.77 ENPP3 (0.49) ENPP3ENPP1HTR6RAPGEF4L3MBTL1

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 9 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
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 EP disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 EP disclosed
US-20050137201-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 US disclosed
WO-2005028475-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-31 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 (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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 ENPP3 2167/4885ENPP1 2595/4885OPRM1 5/4885
US-20050137201-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 ENPP3 721/4885ENPP1 671/4885OPRM1 4478/4885

“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.