SCHEMBL16689458

SCHEMBL16689458

COC(=O)c1cc(CCc2ccc(CO)cc2C)sc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 7/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MAPT P10636 8/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ CISD2 Q8N5K1 2/20 0.41
▸ HSD17B10 Q99714 5/20 0.39
▸ ALOX15 P16050 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39

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
SCHEMBL16689450 0.85 GAA (0.47) GAAMAPK1MAPTALDH1A1HPGD
SCHEMBL16689459 0.85 ALOX15 (0.42) GAAMAPK1MAPTALDH1A1HPGD
SCHEMBL16678806 0.85 GAA (0.47) GAAMAPK1MAPTALDH1A1HPGD
SCHEMBL16689452 0.80 GAA (0.49) GAAMAPK1MAPTALDH1A1HPGD
SCHEMBL16689471 0.78 GAA (0.54) GAAMAPK1MAPTALDH1A1HPGD
SCHEMBL16690704 0.77 GAA (0.54) GAAMAPK1MAPTALDH1A1HPGD
SCHEMBL16689461 0.76 GAA (0.58) GAAMAPK1MAPTALDH1A1HPGD
SCHEMBL16689448 0.76 GAA (0.64) GAAMAPK1MAPTALDH1A1HPGD
SCHEMBL16689451 0.75 LMNA (0.54) GAAMAPK1MAPTALDH1A1HPGD
SCHEMBL1970021 0.74 HSD17B10 (0.58) GAAMAPK1MAPTALDH1A1HPGD

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-9278958-B2 Anti-cancer compounds KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2016-03-08 — — US disclosed
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS UNIVERSITA DEGLI STUDI DI FERRARA (IT) 2015-05-07 — — 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-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS ATP5F1A, TP53, ABCF1 GAA 1316/4885MAPK1 1882/4885MAPT 4801/4885

“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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