SCHEMBL12827016

SCHEMBL12827016

CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc(O)c(O)c4)CC3)ccc2n1CCCC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 10/20 0.70
▸ ALOX5 P09917 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ THRB P10828 2/20 0.35
▸ THRA P10827 1/20 0.35
▸ ECE1 P42892 3/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ ACKR3 P25106 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL20194902 0.91 CFTR (0.72) CFTRTHRBTHRAECE1NR1I2
SCHEMBL19753219 0.91 CFTR (0.75) CFTRTHRBTHRAECE1NR1I2
SCHEMBL14403854 0.91 CFTR (0.67) CFTRTHRBTHRAECE1NR1I2
SCHEMBL17030579 0.89 CFTR (0.67) CFTRTHRBTHRANR1I2HTR2A
SCHEMBL20194994 0.89 CFTR (0.67) CFTRTHRBTHRAECE1NR1I2
SCHEMBL23506674 0.89 CFTR (0.67) CFTRTHRBTHRAECE1NR1I2
SCHEMBL13365163 0.89 CFTR (0.77) CFTRTHRBTHRAECE1NR1I2
SCHEMBL20194863 0.89 CFTR (0.69) CFTRECE1NR1I2HTR2APDE4D
SCHEMBL19753122 0.89 CFTR (0.69) CFTRTHRBTHRAECE1NR1I2
SCHEMBL14403579 0.88 CFTR (0.73) CFTRTHRBTHRAECE1NR1I2

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-20110071206-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-24 — — 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-20110071206-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CFTR 1/4885ALOX5 3605/4885EPHX2 2241/4885

“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