SCHEMBL15919361

SCHEMBL15919361

O=S(=O)(Cc1ccc(Br)cc1)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
POLB P06746 1/20 0.54
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NEK2 P51955 1/20 0.43

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
SCHEMBL2933466 0.84 HPGD (0.66) NPC1TSHRHPGDL3MBTL1ALDH1A1
SCHEMBL4188852 0.83 LMNA (0.50) NPC1POLBLMNATSHRHPGD
SCHEMBL25546222 0.83 ALDH1A1 (0.55) LMNATSHRHPGDL3MBTL1ALDH1A1
SCHEMBL3778246 0.83 LMNA (0.71) NPC1LMNATSHRHPGDALDH1A1
SCHEMBL2929978 0.80 L3MBTL1 (0.71) NPC1POLBTSHRHPGDL3MBTL1
SCHEMBL15903904 0.80 LMNA (0.50) POLBLMNATSHRHTTHPGD
SCHEMBL4180920 0.79 LMNA (0.43) NPC1POLBLMNATSHRHTT
SCHEMBL8896530 0.78 ALDH1A1 (0.58) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL15919349 0.75 LPL (0.47) LMNATSHRHPGDL3MBTL1ALDH1A1
SCHEMBL9400339 0.75 LMNA (0.46) LMNATSHRHTTHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117858879-A CDK2/4/6 inhibitor and preparation method and application thereof 南京再明医药有限公司 2024-04-09 CN disclosed
US-20230159469-A1 NOVEL PHTHALAZINE DERIVATIVE HAVING ECTONUCLOEOTIDE PYROPHOSPHATASE/PHOSPHODIESTE RASE INHIBITORY ACTIVITY, AND USE THEREOF TXINNO BIOSCIENCE INC. (KR) 2023-05-25 US disclosed
US-20230159469-A1 NOVEL PHTHALAZINE DERIVATIVE HAVING ECTONUCLOEOTIDE PYROPHOSPHATASE/PHOSPHODIESTE RASE INHIBITORY ACTIVITY, AND USE THEREOF TXINNO BIOSCIENCE INC. (KR) 2023-05-25 US disclosed
WO-2021225407-A1 NOVEL PHTHALAZINE DERIVATIVE HAVING ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE INHIBITORY ACTIVITY, AND USE THEREOF 주식회사 티씨노바이오사이언스 (KR) 2021-11-11 WO disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 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 (2 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NPC1 565/4885POLB 1777/4885LMNA 4266/4885
US-20230159469-A1 NOVEL PHTHALAZINE DERIVATIVE HAVING ECTONUCLOEOTIDE PYROPHOSPHATASE/PHOSPHODIESTE RASE INHIBITORY ACTIVITY, AND USE THEREOF ENPP1, ENPP3, PPA1 NPC1 2736/4885POLB 2703/4885LMNA 4507/4885

“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.