SCHEMBL16135884

SCHEMBL16135884

CCc1ccc(S(=O)(=O)N2CCC(N(C(=O)c3ccccc3Cl)c3ccccn3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.57
▸ LMNA P02545 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GAA P10253 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ GRM4 Q14833 1/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL16135852 0.91 ALDH1A1 (0.54) ALDH1A1LMNAHTTL3MBTL1GAA
SCHEMBL16135774 0.88 ALDH1A1 (0.68) ALDH1A1LMNAHTTL3MBTL1GAA
SCHEMBL16135851 0.88 ALDH1A1 (0.48) ALDH1A1LMNAHTTL3MBTL1GAA
SCHEMBL16135843 0.87 ALDH1A1 (0.56) ALDH1A1LMNAL3MBTL1GAAHSD11B1
SCHEMBL16135855 0.86 ALDH1A1 (0.57) ALDH1A1LMNAL3MBTL1HSD11B1KMT2A
SCHEMBL16135770 0.85 ALDH1A1 (0.50) ALDH1A1LMNAHTTL3MBTL1GAA
SCHEMBL16311199 0.83 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1GAASMN1; SMN2
SCHEMBL16311215 0.83 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1GAAHSD11B1
SCHEMBL16135885 0.83 SMN1; SMN2 (0.54) ALDH1A1LMNAHTTGAANPSR1
SCHEMBL16136144 0.83 ALDH1A1 (0.51) ALDH1A1LMNAL3MBTL1KMT2APKM

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 514/4885LMNA 1994/4885HTT 4260/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE ALDH1A1 514/4885LMNA 1994/4885HTT 4260/4885

“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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