SCHEMBL3518044

SCHEMBL3518044

COC(=O)c1c(F)ccc(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HTT P42858 2/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
BDKRB1 P46663 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38

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
SCHEMBL30047280 0.89 CA1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL23856764 0.89 CA1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL3521744 0.86 MAPT (0.45) CA12CA1CA2CA7CA9
SCHEMBL30954154 0.86 MAPT (0.45) CA12CA1CA2CA7CA9
SCHEMBL31246136 0.86 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL24436895 0.86 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL3205636 0.86 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL2472378 0.86 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL912906 0.84 ALDH1A1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL23088281 0.84 MAPK1 (0.43) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242705-A1 ESTER COMPOUND AND RESIN COMPOSITION AJINOMOTO CO., INC. (JP) 2023-08-03 US disclosed
US-9120711-B2 Carboxylation catalysts UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2015-09-01 US disclosed
US-9120711-B2 Carboxylation catalysts UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2015-09-01 US disclosed
US-20130085276-A1 CARBOXYLATION CATALYSTS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2013-04-04 US disclosed
US-20130085276-A1 CARBOXYLATION CATALYSTS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2013-04-04 US disclosed
WO-2011154700-A1 CARBOXYLATION CATALYSTS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2011-12-15 WO disclosed
US-20100305133-A1 Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-12-02 US disclosed
US-20100305133-A1 Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-12-02 US disclosed
US-20100305133-A1 Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-12-02 US disclosed
EP-2227770-A2 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-15 EP disclosed
WO-2009073497-A2 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed
WO-2009073497-A2 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 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 (3 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-20130085276-A1 CARBOXYLATION CATALYSTS CTH, ME3, CPN1 CA12 21/4885CA1 117/4885CA2 102/4885
US-20100305133-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 CA12 3023/4885CA1 1813/4885CA2 486/4885
US-20230242705-A1 ESTER COMPOUND AND RESIN COMPOSITION AFF4, AFF1, AFF2 CA12 4707/4885CA1 4135/4885CA2 4714/4885

“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.