SCHEMBL15468873

SCHEMBL15468873

CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ncsc2c1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
SLC22A12 Q96S37 1/20 0.34
PSIP1 O75475 1/20 0.34
ABL1 P00519 1/20 0.31
MAP3K8 P41279 1/20 0.30
BRD4 O60885 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
PRKCZ Q05513 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
SCHEMBL13826201 0.92 CYP3A4 (0.46) CYP3A4SLC22A12PSIP1MAP3K8
SCHEMBL15342231 0.84 CYP3A4 (0.34) CYP3A4PSIP1MEN1RAB9AKMT2A
SCHEMBL15468858 0.84 CYP3A4 (0.40) CYP3A4SLC22A12PSIP1MEN1NPC1
SCHEMBL13733839 0.82 CYP3A4 (0.32) CYP3A4SLC22A12
SCHEMBL13733836 0.82 CYP3A4 (0.32) CYP3A4SLC22A12
SCHEMBL13733574 0.81 NPC1 (0.38) CYP3A4SLC22A12NPC1RAB9AKMT2A
SCHEMBL13733571 0.81 NPC1 (0.38) CYP3A4SLC22A12NPC1RAB9AKMT2A
SCHEMBL13733575 0.81 NPC1 (0.38) CYP3A4SLC22A12NPC1RAB9AKMT2A
SCHEMBL15468970 0.81 CYP3A4 (0.38) CYP3A4PSIP1MEN1NPC1RAB9A
SCHEMBL15468878 0.81 CYP3A4 (0.38) CYP3A4PSIP1NPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9879023-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-30 US disclosed
US-20170088554-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2017-03-30 US 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
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2014-02-13 US 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 CYP3A4 3708/4885SLC22A12 600/4885PSIP1 2398/4885
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE FURIN, NFATC1, RUNX1 CYP3A4 940/4885SLC22A12 842/4885PSIP1 1964/4885
US-20160024104-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, NPC1 CYP3A4 3726/4885SLC22A12 615/4885PSIP1 2455/4885

“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.