SCHEMBL10096107

SCHEMBL10096107

CCOc1ccc2c(-c3nnc(C)o3)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
FAAH O00519 1/20 0.35
EPHX2 P34913 1/20 0.35
MAPK14 Q16539 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 6/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL10096067 0.96 IDO1 (0.37) IDO1FAAHEPHX2MAPK14KDM4E
SCHEMBL10096108 0.91 MAPT (0.35) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL13152823 0.90 IDO1 (0.36) IDO1FAAHEPHX2MAPK14
SCHEMBL10096122 0.89 MAPT (0.37) KDM4EALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL12995279 0.89 FAAH (0.38) IDO1FAAHEPHX2MAPK14
SCHEMBL10096120 0.88 POLB (0.35) KDM4EALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL10096112 0.88 HAVCR2 (0.36) ALDH1A1HSD17B10MAPTSMN1; SMN2MEN1
SCHEMBL10096104 0.88 LMNA (0.38) ALDH1A1HPGDHSD17B10MAPTSMN1; SMN2
SCHEMBL10096066 0.87 MAPT (0.36) KDM4EHPGDNPSR1HSD17B10MAPT
SCHEMBL10096143 0.87 NPC1 (0.47) FAAHEPHX2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS IDO1 911/4885FAAH 1628/4885EPHX2 745/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS IDO1 3665/4885FAAH 3963/4885EPHX2 2630/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS IDO1 3665/4885FAAH 3963/4885EPHX2 2630/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP IDO1 1422/4885FAAH 1940/4885EPHX2 2880/4885

“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.