SCHEMBL10095752

SCHEMBL10095752

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB2 O60825 2/20 0.37
PFKFB1 P16118 2/20 0.37
PFKFB3 Q16875 2/20 0.37
NSD2 O96028 1/20 0.37
DOT1L Q8TEK3 1/20 0.37
AS3MT Q9HBK9 1/20 0.37
RORC P51449 3/20 0.37
HPGD P15428 6/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
FAAH O00519 1/20 0.36
PTGS2 P35354 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
SCHEMBL10095757 0.93 HPGD (0.41) PFKFB2PFKFB1PFKFB3NSD2DOT1L
SCHEMBL10097683 0.93 HPGD (0.44) RORCHPGDALDH1A1SMN1; SMN2CYP1A2
SCHEMBL10095759 0.92 SCN2A (0.37) PFKFB2PFKFB1PFKFB3NSD2DOT1L
SCHEMBL10095761 0.92 MAPK1 (0.38) RORCHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL10095490 0.92 MAPT (0.40) PFKFB2PFKFB1PFKFB3NSD2DOT1L
SCHEMBL10095755 0.92 MAPK1 (0.42) RORCHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL10095762 0.90 MEN1 (0.41) PFKFB2PFKFB1PFKFB3NSD2DOT1L
SCHEMBL10095756 0.90 HPGD (0.38) RORCHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL10095766 0.90 CNR1 (0.38) PFKFB2PFKFB1PFKFB3NSD2DOT1L
SCHEMBL10097342 0.90 SCN2A (0.36) PFKFB2PFKFB1PFKFB3NSD2DOT1L

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 PFKFB2 3890/4885PFKFB1 3870/4885PFKFB3 3739/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS PFKFB2 4129/4885PFKFB1 4133/4885PFKFB3 4055/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PFKFB2 4202/4885PFKFB1 4102/4885PFKFB3 4231/4885

“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.