SCHEMBL4129778

SCHEMBL4129778

COc1cccc(/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.58
▸ TCF7L2 Q9NQB0 1/20 0.58
▸ MAPK1 P28482 5/20 0.57
▸ MAPT P10636 5/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ MEN1 O00255 9/20 0.48
▸ KMT2A Q03164 9/20 0.48
▸ POLB P06746 4/20 0.48
▸ PSMD14 O00487 1/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ PDE4B Q07343 1/20 0.48
▸ ATM Q13315 1/20 0.47

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
SCHEMBL4129781 1.00 CTNNB1 (0.58) CTNNB1TCF7L2MAPK1MAPTALDH1A1
SCHEMBL4133330 0.92 MAPK1 (0.62) MAPK1MAPTALDH1A1TDP1L3MBTL1
SCHEMBL4133327 0.92 MAPK1 (0.62) MAPK1MAPTALDH1A1TDP1L3MBTL1
SCHEMBL4133333 0.92 MAPK1 (0.62) MAPK1MAPTALDH1A1TDP1L3MBTL1
SCHEMBL4131394 0.85 MAPK1 (0.54) MAPK1MAPTALDH1A1TDP1L3MBTL1
SCHEMBL4131399 0.85 MAPK1 (0.54) MAPK1MAPTALDH1A1TDP1L3MBTL1
SCHEMBL4131388 0.85 MAPK1 (0.54) MAPK1MAPTALDH1A1TDP1L3MBTL1
SCHEMBL4130332 0.83 MAPK1 (0.60) CTNNB1MAPK1MAPTL3MBTL1MEN1
SCHEMBL4130334 0.83 MAPK1 (0.60) CTNNB1MAPK1MAPTL3MBTL1MEN1
SCHEMBL4132886 0.81 MAPT (0.64) MAPK1MAPTALDH1A1TDP1L3MBTL1

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 CTNNB1 1797/4885TCF7L2 1964/4885MAPK1 3035/4885

“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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