SCHEMBL16135768

SCHEMBL16135768

COc1ccc(S(=O)(=O)N2CCC(N(C(=O)c3ccccc3)c3ccccn3)CC2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.59
▸ HTT P42858 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TRPM8 Q7Z2W7 1/20 0.49
▸ GAA P10253 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ OPRD1 P41143 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ APEX1 P27695 1/20 0.43
▸ MEN1 O00255 2/20 0.43

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
SCHEMBL16135841 0.89 ALDH1A1 (0.50) ALDH1A1HTTLMNAGAANPSR1
SCHEMBL19546232 0.85 ALDH1A1 (0.62) ALDH1A1HTTLMNATRPM8GAA
SCHEMBL16135885 0.81 SMN1; SMN2 (0.54) ALDH1A1HTTLMNAGAANPSR1
SCHEMBL16135774 0.80 ALDH1A1 (0.68) ALDH1A1HTTLMNATRPM8GAA
SCHEMBL16135776 0.80 ALDH1A1 (0.62) ALDH1A1HTTLMNATRPM8GAA
SCHEMBL16135842 0.79 ALDH1A1 (0.59) ALDH1A1HTTLMNATRPM8GAA
SCHEMBL16135771 0.79 POLB (0.51) ALDH1A1HTTLMNANPSR1USP2
SCHEMBL16135850 0.78 RXFP1 (0.45) ALDH1A1HTTLMNANPSR1KMT2A
SCHEMBL16135767 0.76 SMN1; SMN2 (0.54) ALDH1A1HTTLMNAGAANPSR1
SCHEMBL1395862 0.72 ALDH1A1 (0.72) ALDH1A1HTTLMNATRPM8NPSR1

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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