SCHEMBL6311644

SCHEMBL6311644

CC(=O)Oc1cccc(-c2csc(N=C=O)n2)c1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 7/20 0.42
▸ ATP4B P51164 7/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TMIGD3 P0DMS9 4/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6313351 0.81 MPL (0.47) ATP4AATP4BMAPK1KDM4EALDH1A1
SCHEMBL6318066 0.76 ATP4A (0.65) ATP4AATP4BMAPK1KDM4EALDH1A1
SCHEMBL9365438 0.71 MAPK1 (0.46) MAPK1KDM4EALDH1A1POLBGAA
SCHEMBL6310643 0.68 ATP4A (0.62) ATP4AATP4BKDM4EALDH1A1MAPT
SCHEMBL5212814 0.67 MAPK1 (0.71) MAPK1KDM4EALDH1A1POLBGAA
SCHEMBL28975051 0.67 MAPK1 (0.47) MAPK1KDM4EALDH1A1POLBGAA
SCHEMBL8676657 0.66 MAPK1 (0.60) MAPK1KDM4EALDH1A1POLBGAA
SCHEMBL11275429 0.65 MAPK1 (0.62) MAPK1KDM4EALDH1A1POLBGAA
SCHEMBL812108 0.64 MAPK1 (0.57) MAPK1KDM4EALDH1A1POLBGAA
SCHEMBL6316774 0.64 ATP4A (0.58) ATP4AATP4BKDM4EALDH1A1MAPT

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-20050143581-A1 Process for preparation of alkoxybenzamides and thiazolyl isocyanates MITSUI CHEMICALS, INC. (JP) 2005-06-30 — — US disclosed
EP-1489073-A1 PROCESS FORPREPARATION OF ALKOXYBENZAMIDES AND THIAZOLYL ISOCYANATES MITSUI CHEMICALS, INC. (JP) 2004-12-22 — — 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-20050143581-A1 Process for preparation of alkoxybenzamides and thiazolyl isocyanates CBR3, CBR1, IDH1 ATP4A 1592/4885ATP4B 1690/4885MAPK1 3208/4885

“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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