SCHEMBL18573541

SCHEMBL18573541

COc1cc(-c2ccc(C(=O)NC(C)C)s2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 4/20 0.59
▸ HSD17B2 P37059 4/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.49
▸ KDM4E B2RXH2 5/20 0.48
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ CHEK1 O14757 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ PRKACA P17612 1/20 0.47
▸ GRK5 P34947 1/20 0.47
▸ CSNK1A1 P48729 1/20 0.47
▸ CDK8 P49336 1/20 0.47
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47

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
SCHEMBL23091259 0.90 KDM4E (0.48) HSD17B1HSD17B2KDM4EMAPTSMN1; SMN2
SCHEMBL30501703 0.90 KDM4E (0.52) HSD17B1HSD17B2KDM4EMAPTSMN1; SMN2
SCHEMBL18573543 0.90 KDM4E (0.52) HSD17B1HSD17B2KDM4EMAPTSMN1; SMN2
SCHEMBL23091249 0.87 SNCA (0.53) HSD17B1HSD17B2KDM4EMAPTSMN1; SMN2
SCHEMBL21625727 0.86 HSD17B1 (0.52) HSD17B1HSD17B2HDAC6KDM4EMAPT
SCHEMBL30977648 0.86 HSD17B1 (0.52) HSD17B1HSD17B2HDAC6KDM4EMAPT
SCHEMBL18573580 0.85 HSD17B1 (0.55) HSD17B1HSD17B2HDAC6KDM4EMAPT
SCHEMBL30977649 0.84 HSD17B1 (0.64) HSD17B1HSD17B2HDAC6KDM4EMAPT
Hydrochloric Acid SCHEMBL30977640 0.83 HSD17B1 (0.62) HSD17B1HSD17B2HDAC6KDM4EMAPT
SCHEMBL18573516 0.81 ESRRG (0.63) HSD17B1HSD17B2KDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3805210-B1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AUTOPHAGYSCIENCES INC (KR) 2023-11-29 — — EP claimed
CN-112004807-B Compounds and pharmaceutical compositions comprising the same 自体吞噬科学有限公司 2023-07-18 — — CN claimed
US-11407744-B2 Compound and pharmaceutical composition comprising same Autophagysciences Inc. (KR) 2022-08-09 — — US claimed
EP-3805210-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences, Inc (KR) 2021-04-14 — — EP claimed
US-20210078987-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences Inc. (KR) 2021-03-18 — — US claimed
EP-3814340-B1 NOVEL CATECHOL DERIVATIVES OR SALT THEREOF, PROCESSES FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HEXAPHARMATEC CO LTD (KR) 2024-12-18 — — EP disclosed
US-12110281-B2 Catechol derivatives or salt thereof, processes for preparing the same, and pharmaceutical compositions comprising the same HEXAPHARMATEC CO., LTD. (KR) 2024-10-08 — — US disclosed
CN-112437773-B Catechol derivatives or salts thereof, process for preparing the same and pharmaceutical compositions containing the same 六合医药科技有限公司 2024-06-11 — — CN disclosed
EP-3805210-B1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AUTOPHAGYSCIENCES INC (KR) 2023-11-29 — — EP disclosed
EP-3805210-B1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AUTOPHAGYSCIENCES INC (KR) 2023-11-29 — — EP disclosed
CN-112004807-B Compounds and pharmaceutical compositions comprising the same 自体吞噬科学有限公司 2023-07-18 — — CN disclosed
US-11407744-B2 Compound and pharmaceutical composition comprising same Autophagysciences Inc. (KR) 2022-08-09 — — US disclosed
US-20210078987-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences Inc. (KR) 2021-03-18 — — US disclosed
US-20210078987-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences Inc. (KR) 2021-03-18 — — US disclosed
EP-3339299-B1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AUTOPHAGYSCIENCES INC (KR) 2021-03-03 — — EP disclosed
CN-112437773-A Novel catechol derivative or salt thereof, method for producing the same, and pharmaceutical composition containing the same 六合医药科技有限公司 2021-03-02 — — CN disclosed
CN-112004807-A Novel compounds and pharmaceutical compositions comprising said compounds 自体吞噬科学有限公司 2020-11-27 — — CN disclosed
WO-2020017878-A1 NOVEL CATECHOL DERIVATIVES OR SALT THEREOF, PROCESSES FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HEXAPHARMATEC CO., LTD. (KR) 2020-01-23 — — WO disclosed
EP-3339299-A2 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences, Inc (KR) 2018-06-27 — — EP disclosed
WO-2017034242-A2 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 유영제약 2017-03-02 — — 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-12110281-B2 Catechol derivatives or salt thereof, processes for preparing the same, and pharmaceutical compositions comprising the same COMT, TYR, REN HSD17B1 1028/4885HSD17B2 744/4885HDAC6 871/4885
US-11407744-B2 Compound and pharmaceutical composition comprising same TFEB, ATG7, BECN1 HSD17B1 3622/4885HSD17B2 3443/4885HDAC6 32/4885
US-20210078987-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TFEB, ATG7, BECN1 HSD17B1 3558/4885HSD17B2 3424/4885HDAC6 33/4885

“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.

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