SCHEMBL10159191

SCHEMBL10159191

O=C(CBr)c1ccc(Cl)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.52
MAPT P10636 4/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
HIF1A Q16665 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KLKB1 P03952 1/20 0.45
HSD17B10 Q99714 2/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSP90AB1 P08238 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALOX15 P16050 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL30207963 0.85 CA1 (0.60) GSK3BMAPTRAB9ANPSR1MAPK1
SCHEMBL3278152 0.85 CA1 (0.60) GSK3BMAPTRAB9ANPSR1MAPK1
SCHEMBL29859075 0.82 ALDH1A1 (0.69) GSK3BMAPTALDH1A1MAPK1HIF1A
SCHEMBL641759 0.82 ALDH1A1 (0.69) GSK3BMAPTALDH1A1MAPK1HIF1A
SCHEMBL6331423 0.81 HSP90AB1 (0.67) MAPTRAB9ANPSR1ALDH1A1MAPK1
SCHEMBL7779200 0.81 GSK3B (0.52) GSK3BMAPTRAB9AALDH1A1MAPK1
SCHEMBL30702134 0.81 GSK3B (0.52) GSK3BMAPTRAB9AALDH1A1MAPK1
SCHEMBL31105825 0.80 HSP90AB1 (0.66) MAPTRAB9ANPSR1ALDH1A1MAPK1
SCHEMBL3844607 0.80 HSP90AB1 (0.66) MAPTRAB9ANPSR1ALDH1A1MAPK1
SCHEMBL3918063 0.79 GSK3B (0.50) GSK3BMAPTRAB9AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2757096-A9 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-11-26 EP disclosed
US-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2014-10-02 US disclosed
US-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2014-10-02 US disclosed
EP-2757096-A1 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-07-23 EP disclosed
EP-2220084-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES INC (US) 2014-02-19 EP disclosed
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-07-25 US disclosed
US-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-07-25 US disclosed
US-8461180-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-06-11 US disclosed
US-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-02-03 US disclosed
US-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-02-03 US disclosed
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-09 US disclosed
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-09 US disclosed
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-02 US disclosed
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-02 US disclosed
WO-2009062285-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062289-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062308-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062288-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 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-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 GSK3B 2924/4885MAPT 3573/4885RAB9A 964/4885
US-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 GSK3B 2924/4885MAPT 3573/4885RAB9A 964/4885
US-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E GSK3B 2928/4885MAPT 2627/4885RAB9A 1144/4885
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E GSK3B 2928/4885MAPT 2627/4885RAB9A 1144/4885
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION CCNY, RTF2, POLR2E GSK3B 346/4885MAPT 3208/4885RAB9A 2514/4885
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E GSK3B 2928/4885MAPT 2627/4885RAB9A 1144/4885

“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.