SCHEMBL850766

SCHEMBL850766

N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3cccc4ccccc34)c(Oc3ccc(C#N)cc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.54
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
BRAF P15056 1/20 0.45
CACNA1H O95180 1/20 0.44
CACNA1B Q00975 1/20 0.44
SLC16A3 O15427 1/20 0.43
MRGPRX1 Q96LB2 4/20 0.43
SLC22A12 Q96S37 2/20 0.43
ACLY P53396 1/20 0.42
PGAM1 P18669 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.40

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
SCHEMBL851124 0.82 PGR (0.54) PGRCACNA1HCACNA1BSLC16A3SLC22A12
SCHEMBL850454 0.82 MRGPRX1 (0.63) PGRBRAFMRGPRX1
SCHEMBL851411 0.78 MRGPRX1 (0.51) PGRBRAFSLC16A3MRGPRX1
SCHEMBL851450 0.75 SLC22A12 (0.54) PGRCACNA1HCACNA1BMRGPRX1SLC22A12
SCHEMBL27803879 0.71 SLC6A4 (0.51)
SCHEMBL5955965 0.71 PGR (0.56) PGRACLY
SCHEMBL10337745 0.69 PTGS1 (0.61) PGRCACNA1HCACNA1BSLC22A12ACLY
SCHEMBL7571206 0.68 RECQL (0.69) SLC22A12ACLYPTGES2
SCHEMBL5955962 0.68 USP2 (0.57) PGRSLC16A3MRGPRX1BCL2L1MCL1
SCHEMBL8432578 0.68 SLC6A4 (0.53)

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-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 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-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PGR 354/4885FNTA 2355/4885FNTB 1427/4885

“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.