SCHEMBL5712656

SCHEMBL5712656

CC(C)(C)OC(=O)C(C)(C)O/N=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 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.47
▸ PPARG P37231 3/20 0.47
▸ PGR P06401 3/20 0.47
▸ ESR1 P03372 2/20 0.47
▸ TDP1 Q9NUW8 4/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ HTR2C P28335 1/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ SLC22A6 Q4U2R8 2/20 0.42
▸ SLC22A8 Q8TCC7 2/20 0.42
▸ SLC22A11 Q9NSA0 2/20 0.42
▸ ALB P02768 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ APEX1 P27695 2/20 0.39
▸ ABCC4 O15439 2/20 0.39
▸ ALDH1A1 P00352 2/20 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
SCHEMBL9201934 1.00 NR1I2 (0.47) NR1I2PPARGPGRESR1TDP1
SCHEMBL5712657 1.00 NR1I2 (0.47) NR1I2PPARGPGRESR1TDP1
SCHEMBL9622955 0.96 NR1I2 (0.49) NR1I2PPARGPGRESR1TDP1
SCHEMBL9361968 0.96 NR1I2 (0.49) NR1I2PPARGPGRESR1TDP1
SCHEMBL10563345 0.96 NR1I2 (0.49) NR1I2PPARGPGRESR1TDP1
SCHEMBL9361977 0.96 NR1I2 (0.49) NR1I2PPARGPGRESR1TDP1
SCHEMBL10805334 0.95 NR1I2 (0.47) NR1I2PPARGPGRESR1TDP1
SCHEMBL10848834 0.94 NR1I2 (0.46) NR1I2PPARGPGRESR1TDP1
SCHEMBL10848830 0.94 NR1I2 (0.46) NR1I2PPARGPGRESR1TDP1
SCHEMBL9370289 0.92 NR1I2 (0.51) NR1I2PPARGPGRESR1TDP1

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 8 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
EP-0452987-B1 Isoindoline derivatives BANYU PHARMA CO LTD (JP) 1995-03-01 — — EP disclosed
EP-0186187-B1 CEPHALOSPORIN DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-02-26 — — EP disclosed
EP-0182210-B1 CEPHALOSPORIN DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-02-27 — — EP disclosed
US-4677100-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-06-30 — — 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-20040019202-A1 Cephem compounds and esbl-detecting reagents containing the same MRPL21, CLIC1, QSOX1 NR1I2 1429/4885PPARG 4849/4885PGR 4806/4885

“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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