SCHEMBL16689449

SCHEMBL16689449

CCOC(=O)c1cc(CCc2ccccc2OC)sc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ HSD17B10 Q99714 5/20 0.54
▸ ALOX15 P16050 4/20 0.54
▸ LMNA P02545 4/20 0.54
▸ MAPT P10636 9/20 0.53
▸ ALDH1A1 P00352 8/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ HPGD P15428 4/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ HTT P42858 3/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ TSHR P16473 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ GRM6 O15303 1/20 0.42
▸ TDP1 Q9NUW8 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
SCHEMBL16689451 0.89 LMNA (0.54) GAAMAPK1HSD17B10ALOX15LMNA
SCHEMBL16690708 0.86 GAA (0.56) GAAMAPK1HSD17B10ALOX15LMNA
SCHEMBL23827479 0.85 HSD17B10 (0.55) GAAHSD17B10ALOX15LMNAMAPT
SCHEMBL16689471 0.84 GAA (0.54) GAAMAPK1HSD17B10ALOX15LMNA
SCHEMBL3113232 0.82 GAA (0.66) GAAMAPK1HSD17B10ALOX15LMNA
SCHEMBL16690701 0.79 GAA (0.61) GAAMAPK1HSD17B10ALOX15LMNA
SCHEMBL810348 0.78 GAA (0.77) GAAMAPK1HSD17B10ALOX15LMNA
SCHEMBL16689447 0.77 GAA (0.67) GAAMAPK1HSD17B10ALOX15LMNA
SCHEMBL16689448 0.76 GAA (0.64) GAAMAPK1HSD17B10ALOX15LMNA
SCHEMBL16690785 0.75 MTNR1A (0.48) GAAHSD17B10ALOX15LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864312-B1 NOVEL ANTI-CANCER THIOPHENE COMPOUNDS UNIV LEUVEN KATH (BE) 2021-09-22 — — EP disclosed
US-9278958-B2 Anti-cancer compounds KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2016-03-08 — — US disclosed
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
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 1882/4885HSD17B10 2750/4885

“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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