SCHEMBL2444646

SCHEMBL2444646

COCc1nc(N)sc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 9/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 4/20 0.41
PKM P14618 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL4403974 0.86 ALDH1A1 (0.42) L3MBTL1POLBALDH1A1CYP1A2GAA
SCHEMBL2444986 0.86 ALDH1A1 (0.50) L3MBTL1POLBALDH1A1CYP1A2GAA
SCHEMBL1540028 0.85 ALDH1A1 (0.49) L3MBTL1ALDH1A1CYP1A2GAAMAPK1
SCHEMBL3100377 0.83 ALDH1A1 (0.47) L3MBTL1ALDH1A1CYP1A2GAAMAPK1
SCHEMBL741937 0.82 HSD17B10 (0.49) L3MBTL1ALDH1A1CYP1A2GAAMAPK1
SCHEMBL3618427 0.81 ALDH1A1 (0.41) L3MBTL1POLBALDH1A1CYP1A2GAA
SCHEMBL3119963 0.80 POLB (0.40) L3MBTL1POLBALDH1A1CYP1A2GAA
SCHEMBL276275 0.75 ALDH1A1 (0.62) POLBALDH1A1CYP1A2GAAMAPK1
SCHEMBL8574686 0.74 KDM4E (0.48) L3MBTL1ALDH1A1CYP1A2GAAMAPK1
SCHEMBL8146643 0.74 KDM4E (0.48) L3MBTL1ALDH1A1CYP1A2GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN SCIENCES IRELAND UNLIMITED CO (US) 2022-11-03 US disclosed
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2021-07-06 US disclosed
EP-3814326-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-05-05 EP disclosed
CN-112513017-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 爱尔兰詹森科学公司 2021-03-16 CN disclosed
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-02-13 US disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
EP-1853586-B1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2013-07-24 EP disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 US disclosed
US-8399489-B2 Antibacterial piperdine derivatives ASTRAZENECA AB (GB) 2013-03-19 US disclosed
EP-1981884-B1 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS AMGEN INC (US) 2012-06-13 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US disclosed
EP-1853586-A1 ANTIBACTERIAL PIPERIDINE DERIVATIVES AstraZeneca AB (SE) 2007-11-14 EP disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US disclosed
WO-2007071965-A2 ANTIBACTERIAL PYRROLOPYRIDINES, PYRROLOPYRIMIDINES, AND PYRROLOAZEPINES ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
WO-2006087543-A1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2006-08-24 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 (6 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP L3MBTL1 3914/4885POLB 573/4885ALDH1A1 96/4885
US-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP L3MBTL1 2565/4885POLB 163/4885ALDH1A1 1223/4885
US-20130150366-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, CFTR L3MBTL1 3998/4885POLB 822/4885ALDH1A1 419/4885
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 L3MBTL1 1760/4885POLB 162/4885ALDH1A1 1247/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 L3MBTL1 3505/4885POLB 3116/4885ALDH1A1 2061/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP L3MBTL1 2565/4885POLB 163/4885ALDH1A1 1223/4885

“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.