Sugi Predict

Sugi Predict / Compounds / SCHEMBL10157971

SCHEMBL10157971

SCHEMBL10157971

O=S(=O)(Oc1cc2c(cc1Cl)CCC2)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 0.34
▸ DRD3 P35462 5/20 0.33
▸ HTR1D P28221 3/20 0.33
▸ DRD1 P21728 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ DRD5 P21918 2/20 0.33
▸ STS P08842 1/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ PTGS2 P35354 1/20 0.31

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
SCHEMBL12533716 0.77 STS (0.36) DRD2DRD3HTR1DDRD1DRD4
SCHEMBL30387772 0.77 DRD2 (0.36) DRD2DRD3HTR1DDRD1DRD4
SCHEMBL17048023 0.77 DRD2 (0.36) DRD2DRD3HTR1DDRD1DRD4
SCHEMBL14972546 0.76 PTPN1 (0.41) —
SCHEMBL1506403 0.75 STS (0.34) DRD2DRD3HTR1DDRD1DRD4
SCHEMBL4427945 0.75 STS (0.59) DRD2DRD3HTR1DSTSCA12
SCHEMBL1506583 0.74 SLC2A1 (0.39) DRD2DRD3HTR1DDRD1DRD4
SCHEMBL1506497 0.74 SLC2A1 (0.36) DRD2DRD3HTR1DDRD1DRD4
SCHEMBL12533492 0.74 DRD2 (0.38) DRD2DRD3HTR1DDRD1DRD4
SCHEMBL23510283 0.73 GAA (0.37) CA2

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 29 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
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-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-2009062288-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

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 DRD2 1796/4885DRD3 1467/4885HTR1D 3529/4885
US-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 DRD2 1796/4885DRD3 1467/4885HTR1D 3529/4885
US-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E DRD2 2588/4885DRD3 2414/4885HTR1D 3517/4885
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E DRD2 2588/4885DRD3 2414/4885HTR1D 3517/4885
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION CCNY, RTF2, POLR2E DRD2 3688/4885DRD3 3007/4885HTR1D 4105/4885
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E DRD2 2588/4885DRD3 2414/4885HTR1D 3517/4885

“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.