SCHEMBL852158

SCHEMBL852158

N#Cc1ccc(Oc2cc(Oc3ccc(C#N)cc3)cc(-c3c(S(N)(=O)=O)ccc4ccccc34)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
CA12 O43570 3/20 0.43
MMP3 P08254 2/20 0.37
KDM4E B2RXH2 2/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
SCN9A Q15858 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
EPAS1 Q99814 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35

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
SCHEMBL851167 0.82 ST14 (0.53)
SCHEMBL3790590 0.79 ST14 (0.43) CA1CA2CA9CA12PGR
SCHEMBL3792937 0.73 CA1 (0.45) CA1CA2CA9CA12PARP15
SCHEMBL30874023 0.72 MAPT (0.49) CA1CA2CA9CA12MMP3
SCHEMBL28260077 0.71 CA1 (0.56) CA1CA2CA9CA12CYP2C9
SCHEMBL29786464 0.71 CA1 (0.64) CA1CA2CA9CA12CYP2C9
SCHEMBL921076 0.68 CYP19A1 (0.50) CA1CA2KDM4EPARP15PARP10
SCHEMBL23909576 0.68 CA1 (0.56) CA1CA2CA9CA12KDM4E
SCHEMBL29582194 0.67 PARP15 (0.57) CA1CA2CA9CA12KDM4E
SCHEMBL3793198 0.67 PRSS1 (0.46) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
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
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 CA1 1657/4885CA2 2649/4885CA9 523/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 CA1 1657/4885CA2 2649/4885CA9 523/4885

“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.