SCHEMBL16135776

SCHEMBL16135776

O=C(c1ccccc1)N(c1ccccn1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.62
▸ HTT P42858 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ RAB9A P51151 1/20 0.52
▸ CHRM5 P08912 3/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ PKM P14618 1/20 0.48
▸ PKLR P30613 1/20 0.48
▸ TRPM8 Q7Z2W7 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ GLRA3 O75311 1/20 0.45
▸ GLRB P48167 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
SCHEMBL16135886 0.89 ALDH1A1 (0.52) ALDH1A1HTTLMNARAB9ACHRM5
SCHEMBL16135842 0.87 ALDH1A1 (0.59) ALDH1A1HTTLMNARAB9ACHRM5
SCHEMBL16135774 0.80 ALDH1A1 (0.68) ALDH1A1HTTLMNARAB9ACHRM5
SCHEMBL19546232 0.80 ALDH1A1 (0.62) ALDH1A1HTTLMNANPSR1GAA
SCHEMBL16135768 0.80 ALDH1A1 (0.59) ALDH1A1HTTLMNANPSR1GAA
SCHEMBL16135844 0.76 CHRM5 (0.48) ALDH1A1LMNARAB9ACHRM5NPSR1
SCHEMBL16135853 0.74 ALDH1A1 (0.44) ALDH1A1HTTLMNACHRM5NPSR1
SCHEMBL1395862 0.74 ALDH1A1 (0.72) ALDH1A1HTTLMNANPSR1TRPM8
SCHEMBL16135885 0.71 SMN1; SMN2 (0.54) ALDH1A1HTTLMNANPSR1GAA
SCHEMBL16135883 0.70 ALDH1A1 (0.54) ALDH1A1HTTLMNARAB9ACHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 — — US disclosed
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 — — US disclosed
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 — — US disclosed
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 — — US disclosed
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 — — US disclosed
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 — — US disclosed
WO-2014160478-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-10-02 — — 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 (2 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-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE ALDH1A1 514/4885HTT 4260/4885LMNA 1994/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE ALDH1A1 514/4885HTT 4260/4885LMNA 1994/4885

“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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