SCHEMBL334772

SCHEMBL334772

CCOC(=O)c1cscc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA7 P43166 4/20 0.42
CA9 Q16790 4/20 0.42
CA14 Q9ULX7 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42

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
SCHEMBL1498218 0.86 TSHR (0.59) TSHRALDH1A1HSD17B10GAAMAPK1
SCHEMBL5468755 0.81 TSHR (0.53) TSHRALDH1A1HSD17B10GAAMAPK1
SCHEMBL28651663 0.79 TSHR (0.52) TSHRALDH1A1HSD17B10GAAMAPK1
SCHEMBL12233265 0.79 TSHR (0.52) TSHRALDH1A1HSD17B10GAAMAPK1
SCHEMBL1527656 0.79 TSHR (0.39) TSHRALDH1A1HSD17B10GAAMAPK1
SCHEMBL4184254 0.78 ALDH1A1 (0.56) TSHRALDH1A1HSD17B10GAAMAPK1
SCHEMBL17885225 0.78 TSHR (0.50) TSHRALDH1A1HSD17B10GAAMAPK1
SCHEMBL18830973 0.78 TSHR (0.50) TSHRALDH1A1HSD17B10GAAMAPK1
SCHEMBL10761258 0.76 TSHR (0.48) TSHRALDH1A1HSD17B10GAAMAPK1
Hydrochloric Acid SCHEMBL1492019 0.76 ALDH1A1 (0.54) TSHRALDH1A1HSD17B10GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116917282-A Amide derivatives and use thereof 成都百裕制药股份有限公司 2023-10-20 CN disclosed
WO-2022237781-A1 AMIDE DERIVATIVE AND APPLICATION THEREOF 成都百裕制药股份有限公司 2022-11-17 WO disclosed
CN-107709334-B Novel amino acid derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-04-13 CN disclosed
CN-108602841-B Novel ammonium derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-03-23 CN disclosed
CN-107709333-B Hydroxy ester derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-01-01 CN disclosed
US-10711010-B2 Hydroxyester derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATORIES SERVIER (FR) 2020-07-14 US disclosed
EP-3313851-B1 NEW HYDROXYESTER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2019-11-06 EP disclosed
EP-3405471-B1 NEW AMMONIUM DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2019-10-30 EP disclosed
US-10457687-B2 Aminoacid derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-10-29 US disclosed
US-10457689-B2 Ammonium derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-10-29 US disclosed
US-7662958-B2 e.g. N-[3-{1-[(cyclobutyl)amino]-4-hydroxy-2-oxo-1,2-dihydro-quinolin -3-yl}-1,1-dioxo-1,4-dihydro-1 lambda 6-thieno[2,3-e][1,2,4]thiadiazin-7-yl)methyl]methane-sulfonamide; viricides for infections caused by an RNA-containing virus; hepatitis C virus (HCV) polymerase inhibitor; liver cirrhosis ABBVIE INC. 2010-02-16 US disclosed
US-7662958-B2 e.g. N-[3-{1-[(cyclobutyl)amino]-4-hydroxy-2-oxo-1,2-dihydro-quinolin -3-yl}-1,1-dioxo-1,4-dihydro-1 lambda 6-thieno[2,3-e][1,2,4]thiadiazin-7-yl)methyl]methane-sulfonamide; viricides for infections caused by an RNA-containing virus; hepatitis C virus (HCV) polymerase inhibitor; liver cirrhosis ABBVIE INC. 2010-02-16 US disclosed
WO-2009152166-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-10 US disclosed
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-10 US disclosed
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-10 US disclosed
US-20080214528-A1 ANTI-INFECTIVE AGENTS ABBVIE INC. 2008-09-04 US disclosed
US-20080214528-A1 ANTI-INFECTIVE AGENTS ABBVIE INC. 2008-09-04 US disclosed
US-20080214528-A1 ANTI-INFECTIVE AGENTS ABBVIE INC. 2008-09-04 US disclosed
WO-2008011337-A1 HCV INHIBITORS ABBOTT LABORATORIES (US) 2008-01-24 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 (5 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-10711010-B2 Hydroxyester derivatives, a process for their preparation and pharmaceutical compositions containing them CASP3, BAX, CASP7 TSHR 1099/4885ALDH1A1 588/4885HSD17B10 275/4885
US-20080214528-A1 ANTI-INFECTIVE AGENTS NQO2, RSU1, RRS1 TSHR 3202/4885ALDH1A1 1406/4885HSD17B10 2670/4885
US-10457689-B2 Ammonium derivatives, a process for their preparation and pharmaceutical compositions containing them ARG1, ASS1, ATP6V1B1 TSHR 1241/4885ALDH1A1 1905/4885HSD17B10 3857/4885
US-10457687-B2 Aminoacid derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, ARG2, ANXA5 TSHR 2243/4885ALDH1A1 2999/4885HSD17B10 4447/4885
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS CYP2E1, CYP1A1, CYP1B1 TSHR 2373/4885ALDH1A1 85/4885HSD17B10 645/4885

“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.