SCHEMBL13736784

SCHEMBL13736784

OB(O)c1ccc2c3c(cccc13)CCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PRKCI P41743 1/20 0.37
ERN1 O75460 2/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
PARP1 P09874 1/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 2/20 0.33
DYRK1A Q13627 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
DYRK2 Q92630 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
TP53 P04637 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 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
SCHEMBL3298420 0.79 TYMS (0.45) PRKCIALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3318165 0.78 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL29954107 0.78 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL20020909 0.75 KDM4E (0.38) KEAP1NFE2L2PRKCIALDH1A1HPGD
SCHEMBL20021100 0.75 HPGD (0.44) KEAP1NFE2L2PRKCIALDH1A1HPGD
SCHEMBL15182506 0.75 FABP4 (0.35) PRKCIALDH1A1HPGDKDM4EMEN1
SCHEMBL134859 0.73 CYP3A4 (0.41) PRKCIERN1KDM4EDYRK1AHDAC3
SCHEMBL20021160 0.72 PRKCI (0.34) KEAP1NFE2L2PRKCIALDH1A1HPGD
SCHEMBL20021168 0.72 PRKCI (0.37) KEAP1NFE2L2PRKCIALDH1A1HPGD
Hydrochloric Acid SCHEMBL244567 0.72 CYP3A4 (0.41) PRKCIERN1KDM4EDYRK1AHDAC3

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 KEAP1 1736/4885NFE2L2 3374/4885PRKCI 2054/4885
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE FURIN, NFATC1, RUNX1 KEAP1 2115/4885NFE2L2 2221/4885PRKCI 3653/4885
US-20160024104-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, NPC1 KEAP1 1675/4885NFE2L2 3335/4885PRKCI 1992/4885

“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.