SCHEMBL12637117

SCHEMBL12637117

CC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(F)c(C)c3)C2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 9/20 0.63
▸ DUSP22 Q9NRW4 9/20 0.60
▸ NLRP3 Q96P20 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ DUSP3 P51452 1/20 0.50

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
SCHEMBL12637121 0.87 CFTR (0.62) CFTRDUSP22NLRP3MEN1KMT2A
SCHEMBL12637255 0.84 DUSP22 (0.65) CFTRDUSP22MEN1KMT2ADUSP3
SCHEMBL12637118 0.83 CFTR (0.67) CFTRDUSP22NLRP3MEN1KMT2A
SCHEMBL12637159 0.83 CFTR (0.84) CFTRDUSP22NLRP3MEN1KMT2A
SCHEMBL8004328 0.81 CFTR (0.82) CFTRDUSP22NLRP3MEN1KMT2A
SCHEMBL12637254 0.79 CFTR (0.73) CFTRDUSP22NLRP3MEN1KMT2A
SCHEMBL1888931 0.77 CFTR (1.00) CFTRDUSP22NLRP3MEN1KMT2A
SCHEMBL1327129 0.77 CFTR (1.00) CFTRDUSP22NLRP3MEN1KMT2A
SCHEMBL12637114 0.76 CFTR (0.84) CFTRDUSP22NLRP3MEN1KMT2A
SCHEMBL12637158 0.76 CFTR (0.84) CFTRDUSP22NLRP3MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105565-A1 WATER SOLUBLE SMALL MOLECULE INHIBITORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-05 — — US 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 (1 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-20110105565-A1 WATER SOLUBLE SMALL MOLECULE INHIBITORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, PKD1, PKD2 CFTR 1/4885DUSP22 3990/4885NLRP3 852/4885

“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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