SCHEMBL8034471

SCHEMBL8034471

CN(C[C@@H](N)C(C)(C)C)S(=O)(=O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
TSHR P16473 3/20 0.39
HTT P42858 1/20 0.37
CTSK P43235 1/20 0.36
GBA1 P04062 2/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LOX P28300 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
EP300 Q09472 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
SCHEMBL12584775 0.81 HSD17B10 (0.38) HSD17B10TSHRHTTCTSKCYP2C19
SCHEMBL12606651 0.81 HSD17B10 (0.38) HSD17B10TSHRHTTCTSKCYP2C19
SCHEMBL14011644 0.81 EP300 (0.45) HSD17B10TSHRCTSKMEN1KMT2A
SCHEMBL13251282 0.79 HSD17B10 (0.37) HSD17B10TSHRHTTCTSKCYP2C19
SCHEMBL12564711 0.78 HSD17B10 (0.39) HSD17B10TSHRHTTCTSKCYP2C19
SCHEMBL8280433 0.78 HSD17B10 (0.36) HSD17B10TSHRHTTCTSKCYP2C19
SCHEMBL8282343 0.78 CCR5 (0.55) HTTGBA1MAPTALDH1A1CCR5
SCHEMBL14037630 0.76 KMT2A (0.43) HSD17B10TSHRMEN1KMT2AL3MBTL1
SCHEMBL13686199 0.75 CTSK (0.38) HSD17B10TSHRHTTCTSKCYP2C19
SCHEMBL13684452 0.74 CTSK (0.39) HSD17B10TSHRHTTCTSKCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150835-A1 Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease SCHERING CORPORATION 2011-06-23 US disclosed
EP-1797111-B1 ACYLSULFONAMIDE COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2011-06-22 EP disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 US disclosed
WO-2009058856-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2009-05-07 WO disclosed
US-7399749-B2 Substituted prolines as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2008-07-15 US disclosed
US-7192957-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2007-03-20 US disclosed
WO-2005087721-A2 COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 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 (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-20110150835-A1 Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease TMPRSS15, SPINT2, HPN HSD17B10 1134/4885TSHR 4800/4885HTT 2764/4885

“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.