SCHEMBL16136141

SCHEMBL16136141

Cc1cc2cc(S(=O)(=O)Cl)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP2A6 P11509 1/20 0.50
KEAP1 Q14145 1/20 0.50
AXL P30530 1/20 0.47
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAOB P27338 7/20 0.45
MAOA P21397 6/20 0.45
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGS2 P35354 1/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39
VCP P55072 1/20 0.38

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
SCHEMBL318866 0.84 CYP2A6 (0.52) MAPTALDH1A1CYP2A6KEAP1AXL
SCHEMBL9818493 0.82 MAOB (0.61) MAPTALDH1A1CYP2A6KEAP1AXL
SCHEMBL27814996 0.82 CYP2A6 (0.55) MAPTALDH1A1CYP2A6KEAP1AXL
SCHEMBL14722076 0.81 BRD4 (0.53) MAPTALDH1A1KDM4EKMT2A
SCHEMBL5798049 0.79 MAPT (0.54) MAPTALDH1A1CYP2A6KEAP1AXL
SCHEMBL11369615 0.79 TAS2R14 (0.57) MAPTALDH1A1CYP2A6KEAP1AXL
SCHEMBL27513674 0.79 CA2 (0.40) MAPTALDH1A1TDP1
SCHEMBL3223011 0.75 F11 (0.58) MAPTLMNAMEN1KMT2A
SCHEMBL29460062 0.75 F11 (0.58) MAPTLMNAMEN1KMT2A
SCHEMBL17824995 0.75 PARG (0.58) MAPTKDM4E

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 MAPT 4865/4885ALDH1A1 514/4885CYP2A6 1439/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE MAPT 4865/4885ALDH1A1 514/4885CYP2A6 1439/4885

“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.