SCHEMBL16135984

SCHEMBL16135984

COc1ccc(S(=O)(=O)N2CCC(N(c3ccccn3)S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ POLB P06746 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HTT P42858 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ LMNA P02545 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GRM4 Q14833 1/20 0.42

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
SCHEMBL16136062 0.88 POLB (0.47) SMN1; SMN2POLBMAPK1GAAHPGD
SCHEMBL16135954 0.82 ALDH1A1 (0.43) SMN1; SMN2POLBGAAALDH1A1KDM4E
SCHEMBL16135955 0.80 RAB9A (0.39) SMN1; SMN2HSD17B10MAPK1USP2GAA
SCHEMBL16136088 0.78 POLB (0.48) SMN1; SMN2POLBHPGDALDH1A1HTT
SCHEMBL16135885 0.77 SMN1; SMN2 (0.54) SMN1; SMN2POLBHSD17B10MAPK1USP2
SCHEMBL16136093 0.77 SMN1; SMN2 (0.49) SMN1; SMN2POLBMAPK1HPGDALDH1A1
SCHEMBL16135767 0.75 SMN1; SMN2 (0.54) SMN1; SMN2POLBHSD17B10MAPK1USP2
SCHEMBL16136123 0.71 ALDH1A1 (0.46) SMN1; SMN2POLBUSP2GAAALDH1A1
SCHEMBL16135998 0.70 ALDH1A1 (0.45) GAAALDH1A1KDM4EHTTNPSR1
SCHEMBL16135887 0.70 GAA (0.45) SMN1; SMN2GAAALDH1A1HTTNPSR1

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 SMN1; SMN2 3019/4885POLB 1161/4885HSD17B10 511/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE SMN1; SMN2 3019/4885POLB 1161/4885HSD17B10 511/4885

“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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