SCHEMBL16135883

SCHEMBL16135883

CCc1ccc(S(=O)(=O)N2CCC(N(C(=S)c3ccccc3)c3ccccn3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ HTT P42858 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HSD11B1 P28845 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GRM4 Q14833 1/20 0.41
▸ CHRM5 P08912 1/20 0.40

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
SCHEMBL16135774 0.90 ALDH1A1 (0.68) ALDH1A1HTTLMNAGAANPSR1
SCHEMBL16135773 0.83 ALDH1A1 (0.52) ALDH1A1HTTLMNAGAANPSR1
SCHEMBL16135884 0.81 ALDH1A1 (0.57) ALDH1A1HTTLMNAGAANPSR1
SCHEMBL16135978 0.81 ALDH1A1 (0.50) ALDH1A1HTTLMNAGAANPSR1
SCHEMBL16135770 0.79 ALDH1A1 (0.50) ALDH1A1HTTLMNAGAANPSR1
SCHEMBL16135852 0.79 ALDH1A1 (0.54) ALDH1A1HTTLMNAGAANPSR1
SCHEMBL16136123 0.77 ALDH1A1 (0.46) ALDH1A1HTTLMNAGAANPSR1
SCHEMBL16135998 0.76 ALDH1A1 (0.45) ALDH1A1HTTLMNAGAANPSR1
SCHEMBL16135889 0.76 ALDH1A1 (0.44) ALDH1A1HTTLMNAGAANPSR1
SCHEMBL16111159 0.76 ALDH1A1 (0.47) ALDH1A1HTTLMNAGAANPSR1

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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