SCHEMBL10096112

SCHEMBL10096112

CCOc1ccc2c(-c3nc(C)no3)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 2/20 0.36
THRB P10828 1/20 0.35
MAPT P10636 4/20 0.34
ACACB O00763 1/20 0.34
F11 P03951 1/20 0.34
ALDH1A1 P00352 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34
PIK3CA P42336 1/20 0.34
PRKDC P78527 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACR P10323 1/20 0.33
VDR P11473 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL10096078 0.96 HAVCR2 (0.37) HAVCR2THRBMAPTACACBF11
SCHEMBL10096111 0.92 SMN1; SMN2 (0.38) HAVCR2THRBMAPTACACBS1PR1
SCHEMBL10096120 0.91 POLB (0.35) MAPTACACBALDH1A1PIK3CAPRKDC
SCHEMBL10096104 0.90 LMNA (0.38) HAVCR2THRBMAPTACACBALDH1A1
SCHEMBL13152794 0.90 F11 (0.34) F11PIK3CAPRKDCVDRNR1H4
SCHEMBL12995282 0.89 S1PR3 (0.33) F11
SCHEMBL10096122 0.89 MAPT (0.37) MAPTACACBALDH1A1SMN1; SMN2
SCHEMBL10096107 0.88 IDO1 (0.36) MAPTACACBALDH1A1SMN1; SMN2HSD17B10
SCHEMBL10096110 0.87 SMN1; SMN2 (0.39) HAVCR2THRBMAPTACACBALDH1A1
SCHEMBL10096073 0.87 SMN1; SMN2 (0.40) HAVCR2THRBMAPTACACBS1PR1

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 HAVCR2 1/4885THRB 3440/4885MAPT 3547/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HAVCR2 1/4885THRB 2087/4885MAPT 4477/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS HAVCR2 1/4885THRB 2087/4885MAPT 4477/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP HAVCR2 1/4885THRB 3193/4885MAPT 4044/4885

“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.