SCHEMBL137678

SCHEMBL137678

OCCCc1c(O)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
AKR1B1 P15121 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
TLR8 Q9NR97 2/20 0.35
GAA P10253 1/20 0.35
CFTR P13569 4/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL9117779 0.92 TSHR (0.42) TSHRALDH1A1TAAR1AKR1B1SMN1; SMN2
SCHEMBL19866382 0.88 TSHR (0.48) TSHRALDH1A1TAAR1AKR1B1SMN1; SMN2
SCHEMBL1926900 0.87 TAAR1 (0.54) TSHRTAAR1AKR1B1SMN1; SMN2KDM4E
SCHEMBL2989121 0.85 KDM4E (0.41) ALDH1A1TAAR1SMN1; SMN2KDM4EPOLB
SCHEMBL6835043 0.83 TAAR1 (0.50) TSHRTAAR1AKR1B1SMN1; SMN2KDM4E
SCHEMBL15478979 0.82 TSHR (0.43) TSHRALDH1A1TAAR1AKR1B1SMN1; SMN2
SCHEMBL7264603 0.82 CFTR (0.49) TSHRALDH1A1TAAR1SMN1; SMN2CFTR
Lithium Ion SCHEMBL6835042 0.82 TAAR1 (0.48) TSHRTAAR1AKR1B1SMN1; SMN2KDM4E
SCHEMBL5294145 0.81 TAAR1 (0.52) TSHRTAAR1AKR1B1SMN1; SMN2KDM4E
SCHEMBL14158807 0.81 CFTR (0.48) TSHRALDH1A1SMN1; SMN2CFTRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430029-B1 THIENO[2,3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2018-01-10 EP disclosed
US-9499563-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-11-22 US disclosed
EP-2757096-A9 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-11-26 EP disclosed
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS CISTIM LEUVEN VZW (BE) 2014-10-02 US 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
US-8785638-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-07-22 US 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-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-2010130842-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-11-18 WO 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 TSHR 2846/4885ALDH1A1 3557/4885TAAR1 3849/4885
US-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E TSHR 3620/4885ALDH1A1 3272/4885TAAR1 4037/4885
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS TSHR 4614/4885ALDH1A1 1925/4885TAAR1 3934/4885
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E TSHR 3620/4885ALDH1A1 3272/4885TAAR1 4037/4885
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION CCNY, RTF2, POLR2E TSHR 3940/4885ALDH1A1 3803/4885TAAR1 4645/4885
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E TSHR 3620/4885ALDH1A1 3272/4885TAAR1 4037/4885

“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.