SCHEMBL4137558

SCHEMBL4137558

O=C1C(=Cc2ccc(Oc3ccccc3)nc2)SC(=S)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.60
▸ PTPN1 P18031 5/20 0.53
▸ MEN1 O00255 6/20 0.50
▸ KMT2A Q03164 6/20 0.50
▸ CA9 Q16790 1/20 0.48
▸ POLB P06746 3/20 0.48
▸ DDX3X O00571 1/20 0.47
▸ CASP3 P42574 2/20 0.46
▸ SENP8 Q96LD8 2/20 0.46
▸ SENP7 Q9BQF6 2/20 0.46
▸ SENP6 Q9GZR1 2/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ AKR1B1 P15121 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL13651165 1.00 MAPK1 (0.60) MAPK1PTPN1MEN1KMT2ACA9
SCHEMBL4137556 1.00 MAPK1 (0.60) MAPK1PTPN1MEN1KMT2ACA9
SCHEMBL4137433 0.88 MAPK1 (0.57) MAPK1PTPN1MEN1KMT2ACA9
SCHEMBL4137428 0.88 MAPK1 (0.57) MAPK1PTPN1MEN1KMT2ACA9
SCHEMBL14220608 0.85 MEN1 (0.66) MAPK1PTPN1MEN1KMT2APOLB
SCHEMBL4138638 0.82 MAPK1 (0.72) MAPK1MEN1KMT2ACA9POLB
SCHEMBL4138637 0.82 MAPK1 (0.72) MAPK1MEN1KMT2ACA9POLB
SCHEMBL4145218 0.81 MAPK1 (0.57) MAPK1MEN1KMT2ACA9POLB
SCHEMBL4145215 0.81 MAPK1 (0.57) MAPK1MEN1KMT2ACA9POLB
SCHEMBL4132886 0.80 MAPT (0.64) MAPK1PTPN1MEN1KMT2APOLB

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 3 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
WO-2008043733-A1 3- (BENZO [D] [1,3] DIOXOL-5-YLMETHYL) -4- (THIO) OXO-2- (THIO) OXO-AZOLIDIN-5-YLIDENE DERIVATIVES AS ANTIBACTERIAL AGENTS LEK PHARMACEUTICAL D.D. (SI) 2008-04-17 — — 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 (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 3035/4885PTPN1 114/4885MEN1 2336/4885

“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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