SCHEMBL13734112

SCHEMBL13734112

CCOC(=O)C(=O)c1c(C)cc2nc(Br)sc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTPN2 P17706 1/20 0.30

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
SCHEMBL15332300 0.89 PTPN1 (0.32) PTPN1ALDH1A1
SCHEMBL19477984 0.82 SMN1; SMN2 (0.34) CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL13826202 0.81 PTPN2 (0.31) PTPN2
SCHEMBL13736185 0.81 PTPN2 (0.31) PTPN2
SCHEMBL13826128 0.78 PTPN2 (0.31) PTPN2
SCHEMBL18663409 0.78 KDM4E (0.31)
SCHEMBL13826834 0.76 PTPN2 (0.30) PTPN2
SCHEMBL15093441 0.76 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL1699433 0.76 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL13736393 0.76 CA1 (0.32) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181555-B1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES INC (US) 2018-11-28 EP disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-9944656-B2 Benzothiazole macrocycles as inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2018-04-17 US disclosed
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-9879023-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-30 US disclosed
US-9879023-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-30 US disclosed
EP-3105236-B1 BENZOTHIAZOLE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-10-18 EP disclosed
EP-3181555-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2017-06-21 EP disclosed
EP-3181555-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2017-06-21 EP disclosed
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2014-02-13 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
WO-2013159064-A1 BENZOTHIAZOL- 6 -YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES, INC. (US) 2013-10-24 WO disclosed
WO-2012145728-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2012-10-26 WO disclosed
WO-2012145728-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2012-10-26 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 (4 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PTPN1 4124/4885CA1 4607/4885CA2 4670/4885
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE FURIN, NFATC1, RUNX1 PTPN1 2076/4885CA1 3853/4885CA2 2339/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 PTPN1 4417/4885CA1 3458/4885CA2 3995/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PTPN1 4124/4885CA1 4607/4885CA2 4670/4885

“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.