SCHEMBL4132847

SCHEMBL4132847

O=C1C(=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDX3X O00571 2/20 0.52
▸ MAPT P10636 6/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ MAPK1 P28482 4/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ CTRC Q99895 2/20 0.47
▸ CTDSP1 Q9GZU7 3/20 0.46
▸ BLM P54132 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ PTPN7 P35236 2/20 0.43
▸ PTPN12 Q05209 2/20 0.43
▸ GPR35 Q9HC97 2/20 0.43
▸ PTPN22 Q9Y2R2 2/20 0.43
▸ PSMD14 O00487 1/20 0.43
▸ MMP2 P08253 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
SCHEMBL4132843 1.00 DDX3X (0.52) DDX3XMAPTALDH1A1MAPK1MEN1
SCHEMBL4137076 0.86 KMT2A (0.53) DDX3XMAPTALDH1A1MAPK1MEN1
SCHEMBL4137071 0.86 KMT2A (0.53) DDX3XMAPTALDH1A1MAPK1MEN1
SCHEMBL4132935 0.83 MEN1 (0.61) DDX3XMAPTALDH1A1MAPK1MEN1
SCHEMBL4132938 0.83 MEN1 (0.61) DDX3XMAPTALDH1A1MAPK1MEN1
SCHEMBL4138637 0.82 MAPK1 (0.72) DDX3XMAPTMAPK1MEN1KMT2A
SCHEMBL4138638 0.82 MAPK1 (0.72) DDX3XMAPTMAPK1MEN1KMT2A
SCHEMBL4140832 0.80 MAPK1 (0.54) DDX3XMAPTALDH1A1MAPK1MEN1
SCHEMBL4140829 0.80 MAPK1 (0.54) DDX3XMAPTALDH1A1MAPK1MEN1
SCHEMBL4136582 0.80 MAPK1 (0.61) DDX3XMAPTALDH1A1MAPK1MEN1

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 4 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
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
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 DDX3X 348/4885MAPT 4768/4885ALDH1A1 1858/4885

“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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