SCHEMBL17374156

SCHEMBL17374156

O=C(NC1CCCC(n2cc(CO)nn2)C1)c1cc(-c2ccccc2)on1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.59
▸ RAB9A P51151 10/20 0.59
▸ S1PR1 P21453 2/20 0.58
▸ MLLT1 Q03111 3/20 0.50
▸ USP30 Q70CQ3 1/20 0.48
▸ MLLT3 P42568 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ FAAH O00519 1/20 0.46
▸ HIF1A Q16665 1/20 0.45
▸ ACKR3 P25106 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TRPV1 Q8NER1 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
SCHEMBL17374171 0.95 NPC1 (0.55) NPC1RAB9AS1PR1MLLT1USP30
SCHEMBL17374183 0.92 RAB9A (0.55) NPC1RAB9AS1PR1MLLT1USP30
SCHEMBL17374180 0.92 RAB9A (0.55) NPC1RAB9AS1PR1MLLT1USP30
SCHEMBL17374428 0.92 RAB9A (0.55) NPC1RAB9AS1PR1MLLT1USP30
SCHEMBL17381902 0.89 NPC1 (0.60) NPC1RAB9AS1PR1MLLT1USP30
SCHEMBL17374601 0.84 RAB9A (0.53) NPC1RAB9AS1PR1MLLT1USP30
SCHEMBL17374599 0.84 RAB9A (0.53) NPC1RAB9AS1PR1MLLT1USP30
SCHEMBL19239570 0.84 NPC1 (0.59) NPC1RAB9AS1PR1MLLT1USP30
SCHEMBL20200063 0.83 RAB9A (0.54) NPC1RAB9AS1PR1MLLT1USP30
SCHEMBL20200054 0.83 RAB9A (0.54) NPC1RAB9AS1PR1MLLT1USP30

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 27 patents — showing the first 20. 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 claimed
US-20190308960-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2019-10-10 — — US claimed
US-20190022071-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2019-01-24 — — US claimed
US-10174014-B2 Compounds, compositions, and methods for increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2019-01-08 — — US claimed
US-20170233379-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2017-08-17 — — US claimed
EP-3157917-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY Proteostasis Therapeutics, Inc. (US) 2017-04-26 — — EP claimed
WO-2017040606-A1 ISOXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PULMONARY DISEASES AND DISORDERS PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-03-09 — — WO claimed
WO-2015196071-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2015-12-23 — — WO claimed
US-10738040-B2 Compounds, compositions, and methods for increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2020-08-11 — — US disclosed
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-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
WO-2017040606-A1 ISOXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PULMONARY DISEASES AND DISORDERS PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-03-09 — — WO disclosed
WO-2017040606-A1 ISOXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PULMONARY DISEASES AND DISORDERS PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-03-09 — — WO disclosed
WO-2015196071-A9 COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-02-18 — — WO disclosed
WO-2015196071-A9 COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-02-18 — — WO disclosed
WO-2015196071-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2015-12-23 — — WO 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 (5 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-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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