SCHEMBL5493394

SCHEMBL5493394

CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CCl)CS[C@@H]12)c1nsc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ PGR P06401 4/20 0.48
▸ PPARG P37231 3/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ TDP1 Q9NUW8 5/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ SLC22A6 Q4U2R8 2/20 0.47
▸ SLC22A8 Q8TCC7 2/20 0.47
▸ SLC22A11 Q9NSA0 2/20 0.47
▸ ALB P02768 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KCNH2 Q12809 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ DAO P14920 1/20 0.42
▸ SNCA P37840 1/20 0.42
▸ CYP2J2 P51589 1/20 0.42
▸ ABCC4 O15439 1/20 0.42

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
SCHEMBL4205225 1.00 NR1I2 (0.49) NR1I2HTR2CPGRPPARGESR1
SCHEMBL17529038 0.93 NR1I2 (0.49) NR1I2HTR2CPGRPPARGESR1
SCHEMBL24263657 0.93 NR1I2 (0.54) NR1I2HTR2CPGRPPARGESR1
SCHEMBL19407782 0.93 NR1I2 (0.45) NR1I2HTR2CPGRPPARGESR1
SCHEMBL6385493 0.93 NR1I2 (0.49) NR1I2HTR2CPGRPPARGESR1
SCHEMBL10856495 0.91 NR1I2 (0.59) NR1I2HTR2CPGRPPARGESR1
Trifluoroacetic Acid SCHEMBL9012917 0.91 NR1I2 (0.52) NR1I2HTR2CPGRPPARGESR1
Trifluoroacetic Acid SCHEMBL9012912 0.91 NR1I2 (0.52) NR1I2HTR2CPGRPPARGESR1
SCHEMBL18939191 0.89 NR1I2 (0.43) NR1I2HTR2CPGRPPARGESR1
SCHEMBL18939193 0.89 NR1I2 (0.43) NR1I2HTR2CPGRPPARGESR1

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
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 — — EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 — — EP disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 — — EP disclosed
US-20070037786-A1 Cephem compounds WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 — — US disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 — — US disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 — — 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 (2 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-20070037786-A1 Cephem compounds CEP170, ABCB11, SLC7A1 NR1I2 603/4885HTR2C 855/4885PGR 2604/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 NR1I2 385/4885HTR2C 674/4885PGR 3749/4885

“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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