SCHEMBL8353576

SCHEMBL8353576

CN(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.64
CTSL P07711 5/20 0.63
CTSS P25774 5/20 0.63
ATM Q13315 1/20 0.61
CYP3A4 P08684 5/20 0.57
TSHR P16473 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
PPARG P37231 2/20 0.54
CTSB P07858 4/20 0.54
CTSK P43235 4/20 0.54
CYP1A2 P05177 2/20 0.50
POLB P06746 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CTRB1 P17538 1/20 0.50

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
SCHEMBL3255265 0.88 ATM (0.60) OPRK1CTSLCTSSATMCYP3A4
SCHEMBL3255270 0.88 ATM (0.60) OPRK1CTSLCTSSATMCYP3A4
SCHEMBL13305780 0.86 OPRK1 (0.50) OPRK1CTSLCTSSATMCYP3A4
SCHEMBL5348791 0.86 PPARG (0.71) OPRK1CTSLCTSSATMCYP3A4
SCHEMBL5348787 0.86 PPARG (0.71) OPRK1CTSLCTSSATMCYP3A4
SCHEMBL16215928 0.84 ATM (0.69) OPRK1CTSLCTSSATMCYP3A4
SCHEMBL13168601 0.84 ATM (0.69) OPRK1CTSLCTSSATMCYP3A4
SCHEMBL13979588 0.84 CTSL (0.67) OPRK1CTSLCTSSATMCYP3A4
SCHEMBL1362502 0.84 ATM (0.77) OPRK1CTSLCTSSATMCYP3A4
SCHEMBL3255533 0.84 ATM (0.77) OPRK1CTSLCTSSATMCYP3A4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530652-B2 Pyrrolopyrazoles, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2013-09-10 US disclosed
US-8530652-B2 Pyrrolopyrazoles, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2013-09-10 US disclosed
US-20120264751-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2012-10-18 US disclosed
US-20120264751-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2012-10-18 US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-8067591-B2 Pyrrolopyrazole, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-8067591-B2 Pyrrolopyrazole, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
EP-1838718-B1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER (US) 2011-06-15 EP disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
WO-2007072153-A2 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2007-06-28 WO disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
WO-2003062265-A2 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2003-07-31 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 (4 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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP OPRK1 2610/4885CTSL 77/4885CTSS 112/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP OPRK1 2610/4885CTSL 77/4885CTSS 112/4885
US-20120264751-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 OPRK1 3037/4885CTSL 4030/4885CTSS 4049/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP OPRK1 2610/4885CTSL 77/4885CTSS 112/4885

“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.