SCHEMBL13733575

SCHEMBL13733575

Cc1cc2ncsc2c(-c2ccc(Cl)cc2)c1C(COC(=O)C(C)(C)C)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
PRKCZ Q05513 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
APEX1 P27695 1/20 0.30
RECQL P46063 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
SCHEMBL13733574 1.00 NPC1 (0.38) NPC1RAB9AL3MBTL1TDP1CYP3A4
SCHEMBL13733571 1.00 NPC1 (0.38) NPC1RAB9AL3MBTL1TDP1CYP3A4
SCHEMBL13734021 0.88 NPC1 (0.40) NPC1RAB9AL3MBTL1TDP1CYP3A4
SCHEMBL13734016 0.88 NPC1 (0.40) NPC1RAB9AL3MBTL1TDP1CYP3A4
SCHEMBL13734019 0.88 NPC1 (0.40) NPC1RAB9AL3MBTL1TDP1CYP3A4
SCHEMBL13733839 0.86 CYP3A4 (0.32) CYP3A4SLC22A12
SCHEMBL13733836 0.86 CYP3A4 (0.32) CYP3A4SLC22A12
SCHEMBL15332754 0.85 NPC1 (0.38) NPC1RAB9AL3MBTL1TDP1CYP3A4
SCHEMBL15332755 0.85 NPC1 (0.38) NPC1RAB9AL3MBTL1TDP1CYP3A4
SCHEMBL15332750 0.85 NPC1 (0.38) NPC1RAB9AL3MBTL1TDP1CYP3A4

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 11 patents. 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-9879023-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-30 US disclosed
EP-3181555-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2017-06-21 EP disclosed
US-20170088554-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2017-03-30 US disclosed
EP-2699558-B1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES INC (US) 2016-11-23 EP disclosed
US-9464096-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2016-10-11 US disclosed
US-20160024104-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-28 US disclosed
US-9006229-B2 Benzothiazole compounds and their pharmaceutical use GILEAD SCIENCES, INC. (US) 2015-04-14 US disclosed
EP-2699558-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2014-02-26 EP disclosed
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2014-02-13 US 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 (3 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-20170088554-A1 THERAPEUTIC COMPOUNDS FURIN, NFATC1, NPC1 NPC1 3/4885RAB9A 280/4885L3MBTL1 4234/4885
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE FURIN, NFATC1, RUNX1 NPC1 32/4885RAB9A 1428/4885L3MBTL1 4675/4885
US-20160024104-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, NPC1 NPC1 3/4885RAB9A 268/4885L3MBTL1 4195/4885

“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.