SCHEMBL17809406

SCHEMBL17809406

COC(=O)C(CCCC(NC(=O)OCCOCCOc1ccc(CCCCNC(=O)OC(C)(C)C)cc1)C(=O)OC)NC(=O)OCCOCCOc1ccc(CCCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 7/20 0.49
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA12 O43570 4/20 0.47
CA9 Q16790 4/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PAX8 Q06710 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL17806186 0.96 SUCNR1 (0.46) SUCNR1CA1CA2CA12CA9
SCHEMBL16383864 0.87 SUCNR1 (0.45) SUCNR1CA1CA2CA12CA9
SCHEMBL16383769 0.87 CA1 (0.57) SUCNR1CA1CA2CA12CA9
SCHEMBL17919114 0.82 MAPK1 (0.57) SUCNR1CA1CA2CA12CA9
SCHEMBL16383753 0.82 MAPK1 (0.57) SUCNR1CA1CA2CA12CA9
SCHEMBL16344311 0.81 CA1 (0.57) SUCNR1CA1CA2CA12CA9
SCHEMBL17809668 0.81 CA1 (0.55) SUCNR1CA1CA2CA12CA9
SCHEMBL27301122 0.81 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL17919110 0.81 CA1 (0.55) SUCNR1CA1CA2CA12CA9
SCHEMBL16383779 0.81 CA1 (0.57) SUCNR1CA1CA2CA12CA9

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 SUCNR1 1000/4885CA1 4834/4885CA2 2965/4885

“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.