SCHEMBL8628655

SCHEMBL8628655

COC(=O)c1ccccc1SCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
HSD17B10 Q99714 1/20 0.65
KMT2A Q03164 4/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
PKM P14618 1/20 0.63
KDM4E B2RXH2 3/20 0.56
MEN1 O00255 2/20 0.54
HTT P42858 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CRBN Q96SW2 1/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
PTPRG P23470 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL27036838 0.88 KMT2A (0.58) POLBHSD17B10KMT2AL3MBTL1PKM
SCHEMBL28326285 0.88 POLB (0.58) POLBHSD17B10KMT2AL3MBTL1PKM
SCHEMBL27036899 0.87 KMT2A (0.57) POLBHSD17B10KMT2AL3MBTL1PKM
SCHEMBL25221315 0.87 L3MBTL1 (0.56) POLBHSD17B10KMT2AL3MBTL1PKM
SCHEMBL31203723 0.87 L3MBTL1 (0.56) POLBHSD17B10KMT2AL3MBTL1PKM
SCHEMBL15143214 0.85 HSD17B10 (0.67) POLBHSD17B10KMT2AL3MBTL1PKM
SCHEMBL27324335 0.84 HSD17B10 (0.55) POLBHSD17B10KMT2AL3MBTL1PKM
SCHEMBL1053353 0.84 L3MBTL1 (0.61) POLBHSD17B10KMT2AL3MBTL1PKM
SCHEMBL10443880 0.84 HSD17B10 (0.61) POLBHSD17B10KMT2AL3MBTL1PKM
SCHEMBL27801165 0.84 KMT2A (0.56) POLBHSD17B10KMT2AL3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 US disclosed
US-9815835-B2 Substituted polycyclic carbamolypyridone derivative SHIONOGI & CO., LTD. (JP) 2017-11-14 US disclosed
US-5847126-A N-azinyl-N'-(het) arylsulphonyl-ureas BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
US-5696257-A INTERMEDIATES FOR HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
US-5580842-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
US-5476936-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-12-19 US disclosed
CN-1108656-A N-azinyl-N'-(HET)arylsulphonyl-ureas BAYER AG (DE) 1995-09-20 CN 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-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 POLB 292/4885HSD17B10 1241/4885KMT2A 1980/4885

“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.