SCHEMBL980655

SCHEMBL980655

CCOc1ccc(-c2c(C#N)c3ccc(NC(=O)OC(C)(C)C)cc3n2CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 2/20 0.42
ACSS2 Q9NR19 1/20 0.42
PFKFB2 O60825 1/20 0.40
NSD2 O96028 1/20 0.40
PFKFB1 P16118 1/20 0.40
PFKFB3 Q16875 1/20 0.40
DOT1L Q8TEK3 1/20 0.40
AS3MT Q9HBK9 1/20 0.40
RORC P51449 3/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
MAP4K4 O95819 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 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
SCHEMBL981395 0.90 PFKFB2 (0.42) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL12105791 0.89 PFKFB2 (0.48) EGLN2ACSS2PFKFB2NSD2PFKFB1
SCHEMBL4791991 0.89 PFKFB2 (0.43) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL13152257 0.86 ACSS2 (0.44) EGLN2ACSS2MAPTTP53CA12
SCHEMBL984456 0.85 PFKFB2 (0.41) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL10096328 0.85 BCL2 (0.42) EGLN2ACSS2PFKFB2NSD2PFKFB1
SCHEMBL10096734 0.82 KMT2A (0.49) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL10096239 0.82 MAPK1 (0.42) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL10193528 0.81 KDM4E (0.39) EGLN2PFKFB2NSD2PFKFB1PFKFB3
SCHEMBL12950290 0.81 KDM4E (0.39) PFKFB2NSD2PFKFB1PFKFB3DOT1L

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 37 patents — showing the first 20. 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 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-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
EP-1771169-A1 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-04-11 EP disclosed
US-20060223863-A1 Methods for treating Hepatitis C KARP GARY M 2006-10-05 US disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 US disclosed
WO-2006019831-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 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 (8 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 EGLN2 1148/4885ACSS2 652/4885PFKFB2 3890/4885
US-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS EGLN2 203/4885ACSS2 829/4885PFKFB2 4493/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS EGLN2 1920/4885ACSS2 533/4885PFKFB2 3865/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS EGLN2 1406/4885ACSS2 804/4885PFKFB2 4129/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS EGLN2 203/4885ACSS2 829/4885PFKFB2 4493/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS EGLN2 203/4885ACSS2 829/4885PFKFB2 4493/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS EGLN2 1406/4885ACSS2 804/4885PFKFB2 4129/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP EGLN2 2020/4885ACSS2 2308/4885PFKFB2 4202/4885

“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.