SCHEMBL15079342

SCHEMBL15079342

CC1(C)OB(c2cnc(S(C)(=O)=O)c(CF)c2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ CA5B Q9Y2D0 1/20 0.34
▸ DGAT1 O75907 2/20 0.34
▸ PDGFRB P09619 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ LPL P06858 2/20 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
SCHEMBL16736837 0.86 CA1 (0.37) GSK3AGSK3BAAK1ALPLCA1
SCHEMBL17501149 0.82 LPL (0.37) GSK3AGSK3BAAK1ALPLCA1
SCHEMBL15056826 0.80 ALPL (0.37) GSK3AGSK3BAAK1ALPLCA1
SCHEMBL15056858 0.79 ALPL (0.36) GSK3AGSK3BAAK1ALPLCA1
SCHEMBL15056872 0.78 AAK1 (0.47) GSK3AGSK3BAAK1ALPLCA1
SCHEMBL15057096 0.78 PDGFRB (0.36) GSK3AGSK3BAAK1ALPLCA1
SCHEMBL15079362 0.77 CA1 (0.38) GSK3AGSK3BAAK1ALPLCA1
SCHEMBL24169056 0.76 CA1 (0.42) CA1CA2CA9CA12CA3
SCHEMBL15056968 0.75 AAK1 (0.44) GSK3AGSK3BAAK1ALPLCA1
SCHEMBL19759441 0.73 GSK3A (0.42) GSK3AGSK3BAAK1DGAT1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148377-A1 Quinoline Derivatives NOVARTIS AG (CH) 2015-05-28 — — US disclosed
US-20150148377-A1 Quinoline Derivatives NOVARTIS AG (CH) 2015-05-28 — — US disclosed
US-20150148377-A1 Quinoline Derivatives NOVARTIS AG (CH) 2015-05-28 — — US disclosed
WO-2013093850-A1 QUINOLINE DERIVATIVES NOVARTIS AG (CH) 2013-06-27 — — WO 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-20150148377-A1 Quinoline Derivatives RECQL, NQO2, PIK3R3 GSK3A 266/4885GSK3B 235/4885AAK1 2639/4885

“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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