SCHEMBL10095758

SCHEMBL10095758

CCn1c(-c2cccc(NC(=O)OC(C)C)c2)c(C#N)c2ccc(OC(C)C)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.41
HPGD P15428 4/20 0.40
ALOX15 P16050 1/20 0.40
CNR1 P21554 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
RORC P51449 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.36
PFKFB2 O60825 1/20 0.36
NSD2 O96028 1/20 0.36
PFKFB1 P16118 1/20 0.36

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
SCHEMBL10095500 0.94 HPGD (0.42) BTKHPGDALOX15ALDH1A1MAPT
SCHEMBL10095754 0.94 ALDH1A1 (0.39) BTKHPGDCNR1SCN2ASCN10A
SCHEMBL10095755 0.92 MAPK1 (0.42) HPGDCNR1SCN2ASCN10ARORC
SCHEMBL10095769 0.92 BTK (0.35) BTKHPGDALOX15CNR1SCN2A
SCHEMBL10097342 0.91 SCN2A (0.36) BTKHPGDCNR1SCN2ASCN10A
SCHEMBL10095763 0.91 LMNA (0.42) HPGDALOX15CNR1SCN2ASCN10A
SCHEMBL10095766 0.91 CNR1 (0.38) BTKHPGDCNR1SCN2ASCN10A
SCHEMBL10095757 0.91 HPGD (0.41) HPGDCNR1SCN2ASCN10ARORC
SCHEMBL10097683 0.90 HPGD (0.44) HPGDCNR1SCN2ASCN10ARORC
SCHEMBL10095752 0.89 PFKFB2 (0.37) HPGDCNR1SCN2ASCN10ARORC

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 12 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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 (3 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 BTK 3876/4885HPGD 3067/4885ALOX15 1212/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS BTK 3867/4885HPGD 1033/4885ALOX15 1074/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP BTK 2506/4885HPGD 1854/4885ALOX15 1903/4885

“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.