SCHEMBL5099292

SCHEMBL5099292

CNC(=N)N/N=C/C1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)C(NC(=O)/C(=N\OC)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.70
▸ ABCB11 O95342 1/20 0.70
▸ PDE4D Q08499 1/20 0.70
▸ NR1I2 O75469 5/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ MAPT P10636 5/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ FAP Q12884 1/20 0.52
▸ ALB P02768 1/20 0.52
▸ PPARG P37231 1/20 0.52
▸ SLC22A6 Q4U2R8 1/20 0.52
▸ SLC22A8 Q8TCC7 1/20 0.52
▸ SLC22A11 Q9NSA0 1/20 0.52
▸ PGR P06401 2/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ TDP1 Q9NUW8 7/20 0.51
▸ APEX1 P27695 3/20 0.51

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
SCHEMBL7148779 1.00 PTGS1 (0.70) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL5099296 1.00 PTGS1 (0.70) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL7148776 0.88 NR1I2 (0.66) PTGS1NR1I2HTR2CMAPTALDH1A1
SCHEMBL5098930 0.88 NR1I2 (0.66) PTGS1NR1I2HTR2CMAPTALDH1A1
SCHEMBL9434513 0.84 PTGS1 (0.72) PTGS1ABCB11PDE4DNR1I2HTR2C
Cefpodoxime Proxetil SCHEMBL6136644 0.83 PTGS1 (1.00) PTGS1ABCB11PDE4DNR1I2HTR2C
Cefpodoxime Proxetil SCHEMBL614583 0.83 PTGS1 (1.00) PTGS1ABCB11PDE4DNR1I2HTR2C
Cefpodoxime Proxetil SCHEMBL379709 0.83 PTGS1 (1.00) PTGS1ABCB11PDE4DNR1I2HTR2C
Cefpodoxime Proxetil SCHEMBL22330291 0.83 PTGS1 (1.00) PTGS1ABCB11PDE4DNR1I2HTR2C
Cefpodoxime Proxetil SCHEMBL27071 0.83 PTGS1 (1.00) PTGS1ABCB11PDE4DNR1I2HTR2C

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-7317101-B2 Antibacterial cephalosporins SANDOZ GMBH (AT) 2008-01-08 — — US disclosed
US-20030191105-A1 Antibacterial cephalosporins NABRIVA THERAPEUTICS AG (AT) 2003-10-09 — — US disclosed
EP-0824535-B1 ANTIBACTERIAL CEPHALOSPORINS BIOCHEMIE GMBH (AT) 2003-02-26 — — EP disclosed
EP-1221446-A1 Antibacterial cephalosporins BIOCHEMIE Gesellschaft m.b.H. (AT) 2002-07-10 — — 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-20030191105-A1 Antibacterial cephalosporins MRPL21, CIAPIN1, CSDE1 PTGS1 628/4885ABCB11 127/4885PDE4D 2018/4885

“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.

Send feedback