SCHEMBL16135885

SCHEMBL16135885

COc1ccc(S(=O)(=O)N2CCC(N(C(=O)c3ccccc3Cl)c3ccccn3)CC2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ POLB P06746 3/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ HTT P42858 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ LMNA P02545 5/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ MAPK1 P28482 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48

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 0.93 ALDH1A1 (0.50) SMN1; SMN2POLBALDH1A1HTTHPGD
SCHEMBL16135854 0.88 POLB (0.52) SMN1; SMN2POLBALDH1A1HTTHPGD
SCHEMBL16135767 0.86 SMN1; SMN2 (0.54) SMN1; SMN2POLBALDH1A1HTTHPGD
SCHEMBL16135884 0.83 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1HTTNPSR1LMNA
SCHEMBL16135886 0.83 ALDH1A1 (0.52) ALDH1A1HTTNPSR1LMNAKMT2A
SCHEMBL16135850 0.81 RXFP1 (0.45) SMN1; SMN2POLBALDH1A1HTTHPGD
SCHEMBL16135768 0.81 ALDH1A1 (0.59) ALDH1A1HTTNPSR1LMNAKMT2A
SCHEMBL16135771 0.79 POLB (0.51) SMN1; SMN2POLBALDH1A1HTTHPGD
SCHEMBL16135984 0.77 SMN1; SMN2 (0.47) SMN1; SMN2POLBALDH1A1HTTHPGD
SCHEMBL16135852 0.75 ALDH1A1 (0.54) ALDH1A1HTTNPSR1LMNAKMT2A

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 1161/4885ALDH1A1 514/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE SMN1; SMN2 3019/4885POLB 1161/4885ALDH1A1 514/4885

“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.

Send feedback