SCHEMBL7049560

SCHEMBL7049560

N#CC1(c2ccc(N3CC(CNC(O)=S)OC3=O)cc2)CC1.NC(O)=S

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.42
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
F2 P00734 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABCB11 O95342 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39

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
SCHEMBL6607774 0.92 F10 (0.43) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL6635493 0.92 F10 (0.43) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL6638749 0.88 F10 (0.42) F10
SCHEMBL6607865 0.88 MAOA (0.44) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL6608545 0.86 F10 (0.44) F10
SCHEMBL6638409 0.86 F10 (0.47) F10
SCHEMBL6607184 0.85 F10 (0.43) F10
SCHEMBL6608501 0.85 MAOA (0.52) F10ABCB11
SCHEMBL6678975 0.84 F10 (0.47) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL6678382 0.83 F10 (0.42) F10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686363-B2 EFFECTIVE AGAINST MULTI-RESISTANT BACTERIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-02-03 US claimed
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME CORP. 2003-12-04 US claimed
US-6686363-B2 EFFECTIVE AGAINST MULTI-RESISTANT BACTERIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-02-03 US disclosed
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME CORP. 2003-12-04 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-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF ALAD, OXA1L, ECI1 F10 3591/4885ITGB3 2390/4885ITGA2B 2181/4885

“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.