SCHEMBL6133365

SCHEMBL6133365

Cn1ncc(NC(=O)OC(C)(C)C)c1/C=C/C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ GPER1 Q99527 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ ITGA4 P13612 1/20 0.33
▸ ITGB7 P26010 1/20 0.33
▸ NTRK1 P04629 2/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ METAP1 P53582 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SCD O00767 1/20 0.32
▸ HDAC3 O15379 1/20 0.32

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
SCHEMBL6133366 1.00 BRD9 (0.35) BRD9GSK3BDYRK1AMAPK14GPER1
SCHEMBL28847399 0.84 MAPK14 (0.35) BRD9GSK3BDYRK1AMAPK14LMNA
SCHEMBL6133253 0.84 MAPK14 (0.40) BRD9GSK3BDYRK1AMAPK14LMNA
SCHEMBL20262310 0.81 MAPK14 (0.37) BRD9GSK3BDYRK1AMAPK14LMNA
SCHEMBL20262308 0.81 MAPK14 (0.37) BRD9GSK3BDYRK1AMAPK14LMNA
SCHEMBL2173526 0.76 MAPK1 (0.41) BRD9GSK3BDYRK1AMAPK14CNR2
SCHEMBL26126269 0.76 CYP2C9 (0.39) BRD9GSK3BDYRK1AMAPK14LMNA
SCHEMBL23009294 0.75 ATR (0.40) BRD9GSK3BDYRK1AMAPK14LMNA
SCHEMBL22952416 0.75 GSK3B (0.39) BRD9GSK3BDYRK1AMAPK14CNR2
SCHEMBL22322779 0.75 CNR2 (0.40) BRD9GSK3BDYRK1AMAPK14CNR2

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-20050004094-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 — — US disclosed
WO-2004101571-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-11-25 — — 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-20050004094-A1 Cephem compounds CEP170, C1S, CEPT1 BRD9 3873/4885GSK3B 2729/4885DYRK1A 3760/4885

“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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