SCHEMBL17374348

SCHEMBL17374348

O=C(NC1CC(n2ccc(COC(=O)c3cc(-c4ccccc4)on3)n2)C1)c1cc(-c2ccccc2)on1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.53
▸ RAB9A P51151 6/20 0.53
▸ S1PR1 P21453 1/20 0.52
▸ FAAH O00519 3/20 0.48
▸ USP30 Q70CQ3 1/20 0.47
▸ HIF1A Q16665 4/20 0.47
▸ MLLT1 Q03111 4/20 0.46
▸ MLLT3 P42568 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ HTT P42858 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42

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
SCHEMBL17374350 1.00 NPC1 (0.53) NPC1RAB9AS1PR1FAAHUSP30
SCHEMBL17500064 0.90 HIF1A (0.43) NPC1RAB9AS1PR1FAAHHIF1A
SCHEMBL17500065 0.90 HIF1A (0.43) NPC1RAB9AS1PR1FAAHHIF1A
SCHEMBL17374476 0.88 RAB9A (0.58) NPC1RAB9AS1PR1FAAHUSP30
SCHEMBL17374175 0.88 RAB9A (0.58) NPC1RAB9AS1PR1FAAHUSP30
SCHEMBL17374178 0.88 RAB9A (0.58) NPC1RAB9AS1PR1FAAHUSP30
SCHEMBL20200053 0.87 RAB9A (0.56) NPC1RAB9AS1PR1FAAHUSP30
SCHEMBL17381661 0.79 NPC1 (0.50) NPC1RAB9AS1PR1FAAHUSP30
SCHEMBL17381663 0.79 NPC1 (0.50) NPC1RAB9AS1PR1FAAHUSP30
SCHEMBL17381918 0.78 NPC1 (0.55) NPC1RAB9AS1PR1FAAHUSP30

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738040-B2 Compounds, compositions, and methods for increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2020-08-11 — — US disclosed
EP-3157917-B1 COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS INC (US) 2020-03-18 — — EP disclosed
US-20190308960-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2019-10-10 — — US disclosed
US-20190022071-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2019-01-24 — — US disclosed
US-10174014-B2 Compounds, compositions, and methods for increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2019-01-08 — — US disclosed
US-20180147187-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2018-05-31 — — US disclosed
US-20170233379-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2017-08-17 — — US disclosed
EP-3157917-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY Proteostasis Therapeutics, Inc. (US) 2017-04-26 — — EP disclosed
WO-2015196071-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2015-12-23 — — 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 (6 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-20190308960-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, ABCB4, SCNN1B NPC1 166/4885RAB9A 894/4885S1PR1 3939/4885
US-10174014-B2 Compounds, compositions, and methods for increasing CFTR activity CFTR, ABCB4, SCNN1B NPC1 166/4885RAB9A 894/4885S1PR1 3939/4885
US-20170233379-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, ABCB4, SCNN1B NPC1 166/4885RAB9A 894/4885S1PR1 3939/4885
US-20190022071-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS SMPD1, ELANE, SMPD2 NPC1 463/4885RAB9A 1690/4885S1PR1 1064/4885
US-20180147187-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, ABCC2, ABCB4 NPC1 165/4885RAB9A 679/4885S1PR1 4511/4885
US-10738040-B2 Compounds, compositions, and methods for increasing CFTR activity CFTR, ABCB4, SCNN1B NPC1 166/4885RAB9A 894/4885S1PR1 3939/4885

“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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