SCHEMBL18573590

SCHEMBL18573590

CC(C)CNC(=O)c1ccc(-c2ccc3c(c2)OCO3)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.62
▸ RAB9A P51151 4/20 0.62
▸ GAA P10253 2/20 0.50
▸ ALPL P05186 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TRPV1 Q8NER1 1/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ S1PR2 O95136 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL18573588 0.93 HDAC6 (0.58) NPC1RAB9AGAAALPLSMN1; SMN2
SCHEMBL18573453 0.84 RAB9A (0.60) NPC1RAB9ASMN1; SMN2HDAC6KDM4E
SCHEMBL18573455 0.81 RAB9A (0.62) NPC1RAB9AGAAALPLSMN1; SMN2
SCHEMBL18573454 0.78 HDAC6 (0.55) NPC1RAB9AGAASMN1; SMN2HDAC6
SCHEMBL20310142 0.77 RAB9A (0.43) NPC1RAB9AGAASMN1; SMN2HDAC6
SCHEMBL18573575 0.77 HDAC6 (0.62) NPC1RAB9AGAASMN1; SMN2HDAC6
SCHEMBL18573581 0.77 HPGD (0.54) NPC1RAB9ASMN1; SMN2HDAC6KDM4E
SCHEMBL3748204 0.77 HDAC6 (0.60) NPC1RAB9AGAASMN1; SMN2HDAC6
SCHEMBL18573579 0.76 KMT2A (0.48) NPC1RAB9AGAASMN1; SMN2KDM4E
SCHEMBL18573642 0.76 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HDAC6KDM4E

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 NPC1 27/4885RAB9A 167/4885GAA 61/4885
US-10662169-B2 Catechol derivative and pharmaceutical composition comprising the same BECN1, ATG7, SQSTM1 NPC1 45/4885RAB9A 197/4885GAA 65/4885
US-20180244644-A1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME BECN1, ATG7, TFEB NPC1 40/4885RAB9A 122/4885GAA 83/4885

“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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