SCHEMBL4140829

SCHEMBL4140829

O=C1/C(=C\c2ccnc(N3CCOCC3)c2)SC(=S)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.54
▸ CA9 Q16790 1/20 0.44
▸ MAPT P10636 6/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ CTDSP1 Q9GZU7 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PKM P14618 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CFTR P13569 1/20 0.42
▸ PSMD14 O00487 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ PTPN7 P35236 1/20 0.42
▸ PTPN12 Q05209 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
SCHEMBL4140832 1.00 MAPK1 (0.54) MAPK1CA9MAPTTDP1KMT2A
SCHEMBL4141555 0.83 MAPT (0.64) MAPK1CA9MAPTTDP1KMT2A
SCHEMBL4141558 0.83 MAPT (0.64) MAPK1CA9MAPTTDP1KMT2A
SCHEMBL4138637 0.82 MAPK1 (0.72) MAPK1CA9MAPTKMT2AMEN1
SCHEMBL4138638 0.82 MAPK1 (0.72) MAPK1CA9MAPTKMT2AMEN1
SCHEMBL4132843 0.80 DDX3X (0.52) MAPK1MAPTTDP1KMT2AMEN1
SCHEMBL4132847 0.80 DDX3X (0.52) MAPK1MAPTTDP1KMT2AMEN1
SCHEMBL14220257 0.78 MAPK1 (0.50) MAPK1CA9MAPTKMT2AMEN1
SCHEMBL4142283 0.77 MAPK1 (0.67) MAPK1CA9KMT2AMEN1CTDSP1
SCHEMBL4142279 0.77 MAPK1 (0.67) MAPK1CA9KMT2AMEN1CTDSP1

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-20090247516-A1 3- (BENZO [D] [1,3] DIOXOL-5-YLMETHYL) -4- (THIO) OXO-2- (THIO) OXO-AZOLIDIN-5-YLIDENE DERIVATIVES AS ANTIBACTERIAL AGENTS KOTNIK MIHA 2009-10-01 — — US disclosed
EP-1916249-A1 3-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(thio)oxo-2-(thio)oxo-azolidin-5-ylidene derivatives as antibacterial agents LEK Pharmaceuticals D.D. (SI) 2008-04-30 — — EP 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-20090247516-A1 3- (BENZO [D] [1,3] DIOXOL-5-YLMETHYL) -4- (THIO) OXO-2- (THIO) OXO-AZOLIDIN-5-YLIDENE DERIVATIVES AS ANTIBACTERIAL AGENTS XDH, TXLNA, Q6ZSR9 MAPK1 3035/4885CA9 215/4885MAPT 4768/4885

“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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