SCHEMBL4404844

SCHEMBL4404844

NC(=O)c1nc2ccc(O)cc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.63
HSD17B2 P37059 6/20 0.63
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA12 O43570 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA5A P35218 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
CA5B Q9Y2D0 1/20 0.59
GAA P10253 1/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAOB P27338 10/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2B6 P20813 2/20 0.56

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
SCHEMBL31519036 1.00 HSD17B1 (0.63) HSD17B1HSD17B2CA1CA2CA12
Phosphoric Acid SCHEMBL8381672 0.94 HSD17B1 (0.57) HSD17B1HSD17B2CA1CA2CA12
SCHEMBL4402092 0.86 CA2 (0.59) HSD17B1HSD17B2CA1CA2CA12
SCHEMBL4352378 0.86 HSD17B1 (0.67) HSD17B1HSD17B2CA1CA2CA12
Phosphoric Acid SCHEMBL8773256 0.83 MAOB (0.48) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL9050628 0.83 HSD17B1 (0.63) HSD17B1HSD17B2CA1CA2CA12
SCHEMBL30916109 0.83 CA1 (0.57) HSD17B1HSD17B2CA1CA2CA4
SCHEMBL3080605 0.83 CA1 (0.57) HSD17B1HSD17B2CA1CA2CA4
SCHEMBL2677305 0.81 DYRK1A (0.54) HSD17B1HSD17B2GAAHTTMAOB
SCHEMBL2656824 0.81 GFER (0.57) HSD17B1HSD17B2GAAHTTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0379716-B1 Chemiluminescent 1,2-dioxetane compounds TROPIX INC (US) 1996-03-13 EP claimed
US-5438146-A Enhanced chemiluminescence from 1,2-dioxetanes through energy transfer to tethered fluorescers BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1995-08-01 US claimed
US-5068339-A Labels for biomolecules BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1991-11-26 US claimed
EP-0379716-A1 Chemiluminescent 1,2-dioxetane compounds TROPIX, INC. (US) 1990-08-01 EP claimed
WO-1990007511-A1 ENHANCED CHEMILUMINESCENCE FROM 1,2-DIOXETANES THROUGH ENERGY TRANSFER TO TETHERED FLUORESCERS BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1990-07-12 WO claimed
US-7632952-B2 4-(2-hydroxy-2-methylpropylamino)benzenesulfonic acid 2-[(piperidine-4-carbonyl)-amino]benzothiazol-6-yl ester; anticancer activity, via modulation of the activity of proteins, in particular of kinases; anticarcinogenic agent AVENTIS PHARMA S.A. (FR) 2009-12-15 US disclosed
US-20070093488-A1 Novel Benzothiazoles And The Use Thereof As Medicaments AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
EP-1745044-A2 BENZOTHIAZOLE DERIVATIVES HAVING CDK MODULATING ACTIVITY AND USE THEREOF AS ANTICANCER AGENTS Aventis Pharma S.A. (FR) 2007-01-24 EP disclosed
WO-2005097787-A2 NOVEL BENZOTHIAZOLES AND THE USE THEREOF AS MEDICAMENTS AVENTIS PHARMA S.A. (FR) 2005-10-20 WO disclosed
US-20020007663-A1 Method of introducing an in situant into a vapor compression system, especially useful for leak detection, as well as an apparatus for leak detection and a composition useful for leak detection MAINSTREAM ENGINEERING CORPORATION 2002-01-24 US disclosed
US-6327897-B1 Method of introducing an in situant into a vapor compression system, especially useful for leak detection, as well as an apparatus for leak detection and a composition useful for leak detection MAINSTREAM ENGINEERING CORPORATION 2001-12-11 US disclosed
EP-0424465-B1 PREPARATION AND USE OF FLUORESCENT BENZOTHIAZOLE DERIVATIVES JBL SCIENT INC (US) 1997-10-29 EP disclosed
EP-0379716-B1 Chemiluminescent 1,2-dioxetane compounds TROPIX INC (US) 1996-03-13 EP disclosed
US-5424440-A A non-fluorescent detector when hydrolyzing with selected enzyme become fluorescent; colorimetric analysis, spectrophotometry JBL SCIENTIFIC, INC. (US) 1995-06-13 US disclosed
EP-0424465-A4 PREPARATION AND USE OF FLUORESCENT BENZOTHIAZOLE DERIVATIVES 1991-07-03 EP disclosed
EP-0424465-A1 PREPARATION AND USE OF FLUORESCENT BENZOTHIAZOLE DERIVATIVES. JBL SCIENT INC (US) 1991-05-02 EP disclosed
WO-1990000618-A1 PREPARATION AND USE OF FLUORESCENT BENZOTHIAZOLE DERIVATIVES JBL SCIENTIFIC, INC. (US) 1990-01-25 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 (1 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-20070093488-A1 Novel Benzothiazoles And The Use Thereof As Medicaments TFEB, ABAT, BRD4 HSD17B1 3319/4885HSD17B2 2860/4885CA1 4534/4885

“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.