SCHEMBL9214526

SCHEMBL9214526

COC(=O)c1cc(OC)ccc1S

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
NR4A2 P43354 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL787525 0.85 KDM4E (0.56) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL4188701 0.83 ALDH1A1 (0.59) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL3175661 0.83 SMN1; SMN2 (0.59) KDM4ECA1CA2GAAHSD17B10
SCHEMBL382822 0.82 KDM4E (0.66) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL18661182 0.82 MTNR1A (0.55) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL14996626 0.81 KDM4E (0.50) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL22345013 0.81 KDM4E (0.80) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL30009450 0.81 KDM4E (0.80) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
Methyl 2-Hydroxy-5-Methoxybenzoate SCHEMBL643758 0.79 CA1 (0.72) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
Methyl 2-Hydroxy-5-Methoxybenzoate SCHEMBL29709382 0.79 CA1 (0.72) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
EP-3974426-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research and Technology Corporation (US) 2022-03-30 EP disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
CN-106413402-B Hepatitis b core protein allosteric modulators 美国印第安纳大学研究和技术公司 2020-10-30 CN disclosed
EP-3607950-A2 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research & Technology Corporation (US) 2020-02-12 EP disclosed
EP-3607950-A2 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research & Technology Corporation (US) 2020-02-12 EP disclosed
EP-3116316-B1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS UNIV INDIANA RES & TECH CORP (US) 2019-07-10 EP disclosed
EP-3116316-B1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS UNIV INDIANA RES & TECH CORP (US) 2019-07-10 EP disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 US disclosed
EP-3116316-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research And Technology Corporation (US) 2017-01-18 EP disclosed
WO-2015138895-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-09-17 WO disclosed
WO-2015138895-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-09-17 WO disclosed
EP-0565721-B1 1,4-BENZOTHIAZEPINE DERIVATIVE KANEKO NOBORU (JP) 1995-07-26 EP disclosed
US-5416066-A FOR THE PREVENTION OF MYOCARDIAL INFARCTION OR INHIBITING MYOCARDIAL NECROSIS KIRIN BREWERY CO., LTD. (JP) 1995-05-16 US disclosed
EP-0565721-A1 1,4-BENZOTHIAZEPINE DERIVATIVE KANEKO, Noboru (JP) 1993-10-20 EP disclosed
EP-0187487-B1 BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1990-08-29 EP disclosed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 US disclosed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 EP 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-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 KDM4E 1741/4885CYP1A2 1361/4885CYP2C19 2181/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 KDM4E 1741/4885CYP1A2 1361/4885CYP2C19 2181/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 KDM4E 1741/4885CYP1A2 1361/4885CYP2C19 2181/4885

“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.