SCHEMBL17522978

SCHEMBL17522978

NCCOCCOCCN1C(=O)c2cccc3c(NCCCCCCNC(=O)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)ccc(c23)C1=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 13/20 0.52
▸ CA1 P00915 12/20 0.50
▸ CA2 P00918 12/20 0.50
▸ CA12 O43570 6/20 0.50
▸ ADORA3 P0DMS8 4/20 0.48
▸ ADORA2A P29274 4/20 0.48
▸ HTR3A P46098 2/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ CA14 Q9ULX7 2/20 0.46
▸ CA7 P43166 1/20 0.45

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
SCHEMBL17522976 0.93 CA9 (0.49) CA9CA1CA2CA12ADORA3
SCHEMBL18163373 0.82 CA9 (0.68) CA9CA1CA2CA12HTR3A
SCHEMBL18517643 0.81 CA9 (0.70) CA9CA1CA2CA12CA14
SCHEMBL20401651 0.76 USP2 (0.59) CA9CA1CA2CA12ADORA3
SCHEMBL21151146 0.76 CA9 (0.73) CA9CA1CA2CA12HTR3A
SCHEMBL21728989 0.76 CA9 (0.73) CA9CA1CA2CA12HTR3A
SCHEMBL17522977 0.75 CA9 (0.64) CA9CA1CA2CA12CA14
SCHEMBL10035691 0.75 CA9 (0.65) CA9CA1CA2CA12HTR3A
SCHEMBL17522975 0.74 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL13915130 0.74 CA9 (0.73) CA9CA1CA2CA12ADORA3

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-20160046584-A1 COMPOSITIONS AND METHODS OF USING THE COMPOSITIONS FOR PLAQUE SOFTENING ALUMEND, LLC (US) 2016-02-18 — — US disclosed
US-20160046584-A1 COMPOSITIONS AND METHODS OF USING THE COMPOSITIONS FOR PLAQUE SOFTENING ALUMEND, LLC (US) 2016-02-18 — — 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-20160046584-A1 COMPOSITIONS AND METHODS OF USING THE COMPOSITIONS FOR PLAQUE SOFTENING APOB, PLG, LIPG CA9 781/4885CA1 502/4885CA2 898/4885

“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