SCHEMBL8145446

SCHEMBL8145446

CCOC(=O)c1nc(NC(C)C)sc1C

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.63
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 4/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
NPC1 O15118 3/20 0.48
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
TSHR P16473 1/20 0.38

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
SCHEMBL17895646 0.81 GAA (0.67) GAAMEN1KMT2AALDH1A1RAB9A
SCHEMBL8142798 0.79 CDK2 (0.42) GAAMEN1KMT2AALDH1A1RAB9A
SCHEMBL26546523 0.78 CDK2 (0.38) GAAMEN1KMT2AALDH1A1RAB9A
SCHEMBL16908932 0.77 GAA (0.60) GAAMEN1KMT2AALDH1A1RAB9A
SCHEMBL28979284 0.76 GAA (0.52) GAAMEN1KMT2AALDH1A1RAB9A
SCHEMBL2616832 0.75 GAA (0.58) GAAMEN1KMT2AALDH1A1RAB9A
SCHEMBL8919365 0.74 GAA (0.58) GAAMEN1KMT2AALDH1A1RAB9A
SCHEMBL14184594 0.74 MEN1 (0.69) GAAMEN1KMT2AALDH1A1RAB9A
SCHEMBL299269 0.74 GAA (0.56) GAAMEN1KMT2AALDH1A1RAB9A
SCHEMBL9750695 0.73 P2RY1 (0.48) MEN1KMT2AALDH1A1RAB9AMAPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080569-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-03-19 US disclosed
US-20150080569-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-03-19 US disclosed
US-8809266-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-8809266-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20130274439-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2013-10-17 US disclosed
US-20130274439-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2013-10-17 US disclosed
US-8420597-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-04-16 US disclosed
US-8420597-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-04-16 US disclosed
US-20130053577-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-02-28 US disclosed
US-20130053577-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-02-28 US disclosed
US-8283442-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-20120190866-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-07-26 US disclosed
US-20120190866-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-07-26 US disclosed
US-8178491-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-05-15 US disclosed
US-8178491-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-05-15 US disclosed
US-20110306541-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2011-12-15 US disclosed
US-20110306541-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2011-12-15 US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 US disclosed
WO-2009005676-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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 (6 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-20110306541-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC GAA 758/4885MEN1 4840/4885KMT2A 4079/4885
US-20130274439-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GAA 151/4885MEN1 4292/4885KMT2A 3803/4885
US-20090257978-A1 Antiviral coumpounds MAVS, ZC3HAV1, EIF2AK2 GAA 135/4885MEN1 4308/4885KMT2A 4346/4885
US-20130053577-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GAA 151/4885MEN1 4292/4885KMT2A 3803/4885
US-20120190866-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GAA 151/4885MEN1 4292/4885KMT2A 3803/4885
US-20150080569-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GAA 151/4885MEN1 4292/4885KMT2A 3803/4885

“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.