SCHEMBL6478137

SCHEMBL6478137

O=C(NC[C@H]1CN(c2ccc(N3C[C@@H]4C(C(=O)O)[C@@H]4C3)cc2)C(=O)O1)C(Cl)Cl

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.52
F2 P00734 4/20 0.52
ITGB3 P05106 4/20 0.49
ITGA2B P08514 4/20 0.49
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
ABCB11 O95342 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45

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
SCHEMBL6487750 0.89 F10 (0.49) F10F2ITGB3ITGA2BPRSS1
SCHEMBL6492042 0.86 MAOB (0.57) F10
SCHEMBL6208779 0.86 MAOA (0.57) F10F2ITGB3ITGA2BPRSS1
SCHEMBL9815512 0.85 F10 (0.64) F10F2
SCHEMBL6485388 0.85 F10 (0.44) F10ITGB3ITGA2B
SCHEMBL6478553 0.83 F10 (0.48) F10F2ITGB3ITGA2BPRSS1
SCHEMBL6478558 0.83 F10 (0.48) F10F2ITGB3ITGA2BPRSS1
SCHEMBL9815515 0.80 F10 (0.51) F10F2ABCB11ST14
SCHEMBL13357934 0.78 F10 (0.48) F10F2ABCB11ST14
SCHEMBL10151639 0.78 F10 (0.54) F10F2ITGB3ITGA2BABCB11

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-6875784-B2 Antimibicrobial [3.1.0.] bicyclic oxazolidinone derivatives PHARMACIA & UPJOHN COMPANY (US) 2005-04-05 US disclosed
US-20040127530-A1 Antimibicrobial [3.1.0.] bicyclic oxazolidinone derivatives PHARMACIA & UPJOHN COMPANY 2004-07-01 US 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-20040127530-A1 Antimibicrobial [3.1.0.] bicyclic oxazolidinone derivatives OXA1L, CYP1B1, MT-CO1 F10 1247/4885F2 1048/4885ITGB3 434/4885

“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.