SCHEMBL5098930

SCHEMBL5098930

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.66
▸ HTR2C P28335 1/20 0.66
▸ MAPT P10636 4/20 0.64
▸ PPARG P37231 2/20 0.64
▸ SLC22A6 Q4U2R8 2/20 0.64
▸ SLC22A8 Q8TCC7 2/20 0.64
▸ SLC22A11 Q9NSA0 2/20 0.64
▸ ALB P02768 1/20 0.64
▸ TDP1 Q9NUW8 6/20 0.63
▸ APEX1 P27695 3/20 0.63
▸ APAF1 O14727 2/20 0.63
▸ LMNA P02545 2/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.63
▸ TSHR P16473 1/20 0.63
▸ PLCG1 P19174 1/20 0.63
▸ ABCC2 Q92887 1/20 0.63
▸ SIRT5 Q9NXA8 1/20 0.63
▸ PSMD14 O00487 1/20 0.62
▸ MMP2 P08253 1/20 0.62
▸ ABCC4 O15439 3/20 0.61

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
SCHEMBL7148776 1.00 NR1I2 (0.66) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL5105299 0.93 NR1I2 (0.68) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL7035667 0.90 NR1I2 (0.68) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL5098950 0.89 NR1I2 (0.75) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL5099388 0.88 NR1I2 (0.74) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL5099406 0.88 NR1I2 (0.74) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL5099296 0.88 PTGS1 (0.70) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL7148779 0.88 PTGS1 (0.70) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL5099292 0.88 PTGS1 (0.70) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL5105813 0.88 NR1I2 (0.69) NR1I2HTR2CMAPTPPARGSLC22A6

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 6 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
EP-0824535-A1 ANTIBACTERIAL CEPHALOSPORINS BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1998-02-25 — — EP disclosed
WO-1996035692-A1 ANTIBACTERIAL CEPHALOSPORINS BIOCHEMIE GESELLSCHAFT MBH (AT) 1996-11-14 — — 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-20030191105-A1 Antibacterial cephalosporins MRPL21, CIAPIN1, CSDE1 NR1I2 410/4885HTR2C 4093/4885MAPT 4713/4885

“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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