SCHEMBL5712682

SCHEMBL5712682

CC(C)(C)OC(=O)CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ NR1I2 O75469 5/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ PPARG P37231 2/20 0.42
▸ ESR1 P03372 2/20 0.42
▸ PGR P06401 2/20 0.42
▸ TDP1 Q9NUW8 7/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ APEX1 P27695 3/20 0.41
▸ APAF1 O14727 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PLCG1 P19174 1/20 0.41
▸ ABCC2 Q92887 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ PSMD14 O00487 1/20 0.41

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
SCHEMBL5712680 1.00 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL10985834 0.95 PTGS1 (0.44) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL10985827 0.95 PTGS1 (0.44) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL10636340 0.95 PTGS1 (0.44) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9196828 0.95 PTGS1 (0.44) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9827358 0.92 PTGS1 (0.45) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9204591 0.92 PTGS1 (0.45) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9413830 0.92 NR1I2 (0.51) PTGS1NR1I2HTR2CPPARGESR1
SCHEMBL9413831 0.92 NR1I2 (0.51) PTGS1NR1I2HTR2CPPARGESR1
SCHEMBL10516499 0.91 PTGS1 (0.43) 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
EP-1325923-B1 CEPHEM COMPOUNDS AND ESBL-DETECTING REAGENTS CONTAINING THE SAME ZENYAKU KOGYO KK (JP) 2006-12-06 — — EP disclosed
US-6897304-B2 Cephem compounds and ESBL-detecting reagents containing the same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2005-05-24 — — US disclosed
US-20040019202-A1 Cephem compounds and esbl-detecting reagents containing the same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2004-01-29 — — US disclosed
EP-1325923-A1 CEPHEM COMPOUNDS AND ESBL-DETECTING REAGENTS CONTAINING THE SAME ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2003-07-09 — — 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-20040019202-A1 Cephem compounds and esbl-detecting reagents containing the same MRPL21, CLIC1, QSOX1 PTGS1 2523/4885ABCB11 282/4885PDE4D 4590/4885

“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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