SCHEMBL18573642

SCHEMBL18573642

O=C(Nc1ccccc1)c1ccc(-c2ccc3c(c2)OCO3)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.63
▸ RAB9A P51151 7/20 0.63
▸ PPARG P37231 1/20 0.63
▸ NCOA2 Q15596 1/20 0.63
▸ NCOA1 Q15788 1/20 0.63
▸ NCOA3 Q9Y6Q9 1/20 0.63
▸ ESRRG P62508 2/20 0.61
▸ PTPN1 P18031 1/20 0.61
▸ PTPN11 Q06124 1/20 0.61
▸ SMN1; SMN2 Q16637 6/20 0.60
▸ MAPT P10636 5/20 0.60
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ PKM P14618 2/20 0.59
▸ TP53 P04637 5/20 0.56
▸ NFKB1 P19838 2/20 0.56
▸ NFKB2 Q00653 2/20 0.56
▸ RELA Q04206 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56

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
SCHEMBL18573537 0.93 NPC1 (0.63) NPC1RAB9APPARGNCOA2NCOA1
SCHEMBL12900103 0.85 FABP3 (0.53) NPC1RAB9AESRRGSMN1; SMN2MAPT
SCHEMBL18573586 0.83 NPC1 (0.63) NPC1RAB9APPARGSMN1; SMN2MAPT
SCHEMBL3748204 0.82 HDAC6 (0.60) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL18573582 0.80 PTPN1 (0.63) NPC1RAB9APTPN1PTPN11SMN1; SMN2
SCHEMBL18573453 0.79 RAB9A (0.60) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL14849810 0.78 NPC1 (1.00) NPC1RAB9APPARGNCOA2NCOA1
SCHEMBL12900100 0.78 HDAC6 (0.55) NPC1RAB9AESRRGSMN1; SMN2MAPT
SCHEMBL18573454 0.77 HDAC6 (0.55) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL18573581 0.77 HPGD (0.54) NPC1RAB9AESRRGSMN1; SMN2KMT2A

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 12 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
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 167/4885PPARG 1167/4885
US-10662169-B2 Catechol derivative and pharmaceutical composition comprising the same BECN1, ATG7, SQSTM1 NPC1 45/4885RAB9A 197/4885PPARG 1056/4885
US-20180244644-A1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME BECN1, ATG7, TFEB NPC1 40/4885RAB9A 122/4885PPARG 1079/4885

“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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