SCHEMBL18573453

SCHEMBL18573453

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.60
▸ NPC1 O15118 8/20 0.60
▸ HDAC6 Q9UBN7 1/20 0.52
▸ OGA O60502 1/20 0.48
▸ KMT2A Q03164 5/20 0.47
▸ MAPT P10636 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ NFKB1 P19838 3/20 0.45
▸ NFKB2 Q00653 3/20 0.45
▸ RELA Q04206 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ PRKCZ Q05513 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43

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
SCHEMBL18573575 0.93 HDAC6 (0.62) RAB9ANPC1HDAC6KMT2AMAPT
SCHEMBL18573590 0.84 NPC1 (0.62) RAB9ANPC1HDAC6KMT2AMAPT
SCHEMBL18573454 0.83 HDAC6 (0.55) RAB9ANPC1HDAC6KMT2AMAPT
SCHEMBL3748204 0.80 HDAC6 (0.60) RAB9ANPC1HDAC6KMT2AMAPT
SCHEMBL18573643 0.80 RAB9A (0.60) RAB9ANPC1HDAC6OGAKMT2A
SCHEMBL18573642 0.79 NPC1 (0.63) RAB9ANPC1HDAC6KMT2AMAPT
SCHEMBL23091249 0.78 SNCA (0.53) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL18573588 0.77 HDAC6 (0.58) RAB9ANPC1HDAC6KMT2AMAPT
SCHEMBL23091268 0.76 KDM4E (0.50) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL3086968 0.76 HDAC6 (0.85) RAB9ANPC1HDAC6KMT2AMEN1

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 27/4885HDAC6 233/4885
US-10662169-B2 Catechol derivative and pharmaceutical composition comprising the same BECN1, ATG7, SQSTM1 RAB9A 197/4885NPC1 45/4885HDAC6 213/4885
US-20180244644-A1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME BECN1, ATG7, TFEB RAB9A 122/4885NPC1 40/4885HDAC6 136/4885

“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.

Send feedback