SCHEMBL5498630

SCHEMBL5498630

CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CI)CS[C@@H]12)c1nsc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.45
▸ PGR P06401 3/20 0.45
▸ PPARG P37231 2/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ TDP1 Q9NUW8 5/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ KCNH2 Q12809 2/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ HTR2C P28335 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PTGS1 P23219 3/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ ALB P02768 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ SLC22A8 Q8TCC7 1/20 0.40
▸ SLC22A11 Q9NSA0 1/20 0.40
▸ ABCC4 O15439 2/20 0.40
▸ PDE4A P27815 1/20 0.40

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
SCHEMBL5498627 1.00 NR1I2 (0.45) NR1I2PGRPPARGESR1TDP1
SCHEMBL5150599 0.94 NR1I2 (0.45) NR1I2PGRPPARGESR1TDP1
SCHEMBL5150595 0.94 NR1I2 (0.45) NR1I2PGRPPARGESR1TDP1
SCHEMBL10671886 0.89 ABCB11 (0.51) NR1I2PGRPPARGESR1TDP1
SCHEMBL10671889 0.89 ABCB11 (0.51) NR1I2PGRPPARGESR1TDP1
SCHEMBL6385493 0.89 NR1I2 (0.49) NR1I2PGRPPARGESR1TDP1
SCHEMBL9624450 0.88 KCNH2 (0.55) NR1I2PGRPPARGESR1TDP1
SCHEMBL9624448 0.88 KCNH2 (0.55) NR1I2PGRPPARGESR1TDP1
SCHEMBL5148561 0.85 CTDSP1 (0.41) NR1I2PGRPPARGESR1TDP1
SCHEMBL5500959 0.85 CTDSP1 (0.41) NR1I2PGRPPARGESR1TDP1

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 9 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
EP-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 — — EP disclosed
US-20050004094-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 — — US disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 — — US disclosed
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 — — 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 (3 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 603/4885PGR 2604/4885PPARG 4409/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 NR1I2 385/4885PGR 3749/4885PPARG 4512/4885
US-20050004094-A1 Cephem compounds CEP170, C1S, CEPT1 NR1I2 617/4885PGR 2495/4885PPARG 3350/4885

“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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