SCHEMBL18573455

SCHEMBL18573455

CC(C)CNC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.62
▸ NPC1 O15118 5/20 0.62
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ OGA O60502 3/20 0.48
▸ ALPL P05186 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL18573589 0.94 RAB9A (0.53) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL18573643 0.85 RAB9A (0.60) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL18573590 0.81 NPC1 (0.62) RAB9ANPC1HDAC1HDAC6ALPL
SCHEMBL23048444 0.80 HDAC3 (0.50) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL18573578 0.79 HDAC3 (0.53) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL23035052 0.79 HDAC1 (0.57) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL18573582 0.78 PTPN1 (0.63) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL18573584 0.76 CDC7 (0.60) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL18573588 0.74 HDAC6 (0.58) RAB9ANPC1HDAC1HDAC6ALPL
SCHEMBL1039149 0.73 GAA (0.74) RAB9ANPC1ALPLGAASMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339299-B1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AUTOPHAGYSCIENCES INC (KR) 2021-03-03 — — EP claimed
US-20200255397-A1 METHOD FOR TREATING LIVER DISEASE BY ADMINISTERING PHARMACEUTICAL COMPOSITION COMPRISING CATECHOL DERIVATIVE Autophagysciences Inc. (KR) 2020-08-13 — — US claimed
US-20180244644-A1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Autophagysciences Inc. (KR) 2018-08-30 — — US claimed
EP-3339299-A2 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences, Inc (KR) 2018-06-27 — — EP claimed
EP-3339299-B1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AUTOPHAGYSCIENCES INC (KR) 2021-03-03 — — EP disclosed
CN-107922374-B Novel catechol derivatives and pharmaceutical compositions containing the same 自体吞噬科学有限公司 2020-11-06 — — CN disclosed
US-20200255397-A1 METHOD FOR TREATING LIVER DISEASE BY ADMINISTERING PHARMACEUTICAL COMPOSITION COMPRISING CATECHOL DERIVATIVE Autophagysciences Inc. (KR) 2020-08-13 — — US disclosed
US-20200255397-A1 METHOD FOR TREATING LIVER DISEASE BY ADMINISTERING PHARMACEUTICAL COMPOSITION COMPRISING CATECHOL DERIVATIVE Autophagysciences Inc. (KR) 2020-08-13 — — US disclosed
US-10662169-B2 Catechol derivative and pharmaceutical composition comprising the same Autophagysciences Inc. (KR) 2020-05-26 — — US disclosed
US-10662169-B2 Catechol derivative and pharmaceutical composition comprising the same Autophagysciences Inc. (KR) 2020-05-26 — — US disclosed
US-20180244644-A1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Autophagysciences Inc. (KR) 2018-08-30 — — US 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-20200255397-A1 METHOD FOR TREATING LIVER DISEASE BY ADMINISTERING PHARMACEUTICAL COMPOSITION COMPRISING CATECHOL DERIVATIVE ATG7, BECN1, SLC10A1 RAB9A 167/4885NPC1 27/4885HDAC3 561/4885
US-10662169-B2 Catechol derivative and pharmaceutical composition comprising the same BECN1, ATG7, SQSTM1 RAB9A 197/4885NPC1 45/4885HDAC3 712/4885
US-20180244644-A1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME BECN1, ATG7, TFEB RAB9A 122/4885NPC1 40/4885HDAC3 689/4885

“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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