SCHEMBL5148559

SCHEMBL5148559

CC(C)(C)OC(=O)Nc1nc(/C(=N/OC(C)(C)C(=O)OC(C)(C)C)C(=O)N[C@@H]2C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(CCl)CS[C@H]23)ns1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ NR1I2 O75469 5/20 0.40
▸ PGR P06401 3/20 0.40
▸ PPARG P37231 3/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ABCC4 O15439 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PTGS1 P23219 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ABCB11 O95342 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ SLC22A6 Q4U2R8 2/20 0.36
▸ SLC22A8 Q8TCC7 2/20 0.36
▸ SLC22A11 Q9NSA0 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL5148561 1.00 CTDSP1 (0.41) CTDSP1NR1I2PGRPPARGESR1
SCHEMBL5500959 1.00 CTDSP1 (0.41) CTDSP1NR1I2PGRPPARGESR1
SCHEMBL5150595 0.91 NR1I2 (0.45) CTDSP1NR1I2PGRPPARGESR1
SCHEMBL5150599 0.91 NR1I2 (0.45) CTDSP1NR1I2PGRPPARGESR1
SCHEMBL18939193 0.90 NR1I2 (0.43) CTDSP1NR1I2PGRPPARGESR1
SCHEMBL18939191 0.90 NR1I2 (0.43) CTDSP1NR1I2PGRPPARGESR1
SCHEMBL18467327 0.89 NR1I2 (0.48) CTDSP1NR1I2PGRPPARGESR1
SCHEMBL15991693 0.89 NR1I2 (0.48) CTDSP1NR1I2PGRPPARGESR1
SCHEMBL15991695 0.89 NR1I2 (0.48) CTDSP1NR1I2PGRPPARGESR1
SCHEMBL15991697 0.89 NR1I2 (0.48) CTDSP1NR1I2PGRPPARGESR1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3347362-B1 PROCESS FOR PREPARING CEFTOLOZANE FROM 7-AMINOCEPHALOSPORANIC ACID (7-ACA) SANDOZ AG (CH) 2019-10-23 — — EP disclosed
US-9695196-B2 Reactions of thiadiazolyl-oximinoacetic acid derivative compounds MERCK SHARP & DOHME CORP. (US) 2017-07-04 — — US disclosed
US-20170129906-A1 REACTIONS OF THIADIAZOLYL-OXIMINOACETIC ACID DERIVATIVE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-05-11 — — US disclosed
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-7179801-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-02-20 — — US 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-1392704-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2006-02-22 — — EP disclosed
US-20040248875-A1 Cephem compounds ASTELLAS PHARMA INC. (JP) 2004-12-09 — — 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 (4 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 CTDSP1 1117/4885NR1I2 603/4885PGR 2604/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 CTDSP1 597/4885NR1I2 385/4885PGR 3749/4885
US-20170129906-A1 REACTIONS OF THIADIAZOLYL-OXIMINOACETIC ACID DERIVATIVE COMPOUNDS TST, DCTD, MLYCD CTDSP1 1165/4885NR1I2 3211/4885PGR 3738/4885
US-20040248875-A1 Cephem compounds CEP170, C1S, SLC7A1 CTDSP1 541/4885NR1I2 716/4885PGR 2507/4885

“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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