SCHEMBL17809668

SCHEMBL17809668

CC(C)(C)OC(=O)NCCCCc1ccc(OCCOCCOCCNC(=O)NCCOCCOCCOc2ccc(CCCCNC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.55
CA2 P00918 6/20 0.55
CA12 O43570 5/20 0.55
CA9 Q16790 5/20 0.55
SUCNR1 Q9BXA5 6/20 0.51
BCHE P06276 3/20 0.50
CNR2 P34972 3/20 0.50
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL17919110 1.00 CA1 (0.55) CA1CA2CA12CA9SUCNR1
SCHEMBL17806188 0.96 ALDH1A1 (0.52) CA1CA2CA12CA9SUCNR1
SCHEMBL17809675 0.95 CA1 (0.53) CA1CA2CA12CA9SUCNR1
SCHEMBL17809681 0.95 CA1 (0.53) CA1CA2CA12CA9SUCNR1
SCHEMBL16383769 0.91 CA1 (0.57) CA1CA2CA12CA9SUCNR1
SCHEMBL16383753 0.90 MAPK1 (0.57) CA1CA2CA12CA9SUCNR1
SCHEMBL17919114 0.90 MAPK1 (0.57) CA1CA2CA12CA9SUCNR1
SCHEMBL16383779 0.89 CA1 (0.57) CA1CA2CA12CA9SUCNR1
SCHEMBL16344311 0.89 CA1 (0.57) CA1CA2CA12CA9SUCNR1
SCHEMBL1262630 0.86 CA12 (0.55) CA1CA2CA12CA9SUCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656972-B2 Compounds for treatment of cystic fibrosis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-05-23 US disclosed
US-20160159754-A1 COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-06-09 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-20160159754-A1 COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, ELANE, OTC CA1 4834/4885CA2 2965/4885CA12 2089/4885

“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.