SCHEMBL3111744

SCHEMBL3111744

COc1ccc(COC(=O)C2=C(CCl)CS[C@@H]3[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c4nsc(N)n4)C(=O)N23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ NR1I2 O75469 4/20 0.43
▸ PPARG P37231 2/20 0.43
▸ ALB P02768 1/20 0.43
▸ SLC22A6 Q4U2R8 1/20 0.43
▸ SLC22A8 Q8TCC7 1/20 0.43
▸ SLC22A11 Q9NSA0 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ PTGS1 P23219 2/20 0.42
▸ PGR P06401 2/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ TDP1 Q9NUW8 6/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ APEX1 P27695 2/20 0.41
▸ ABCC4 O15439 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ CYP1A2 P05177 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
SCHEMBL19707205 1.00 MAPT (0.43) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL3111746 1.00 MAPT (0.43) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL17897722 0.94 MAPT (0.42) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL17528778 0.93 MAPT (0.44) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL22449554 0.93 MAPT (0.44) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL12968453 0.91 CTDSP1 (0.39) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL9587073 0.90 NR1I2 (0.51) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL9587077 0.90 NR1I2 (0.51) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL12968958 0.90 NR1I2 (0.56) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL21307548 0.90 NR1I2 (0.56) MAPTNR1I2PPARGALBSLC22A6

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468968-B1 SOLID FORMS OF CEFTOLOZANE AND PROCESSES FOR PREPARING MERCK SHARP & DOHME LLC (US) 2024-01-10 — — EP disclosed
US-11542279-B2 Solid forms of ceftolozane and processes for preparing MERCK SHARP & DOHME LLC (US) 2023-01-03 — — US disclosed
US-20220056045-A1 SOLID FORMS OF CEFTOLOZANE AND PROCESSES FOR PREPARING MERCK SHARP & DOHME CORP. (US) 2022-02-24 — — US disclosed
US-10941161-B2 Intermediates in the synthesis of cephalosporin compounds MERCK SHARP & DOHME CORP. (US) 2021-03-09 — — US disclosed
US-20190225624-A1 INTERMEDIATES IN THE SYNTHESIS OF CEPHALOSPORIN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2019-07-25 — — US disclosed
US-10221196-B2 Intermediates in the synthesis of cephalosporin compounds MERCK SHARP & DOHME CORP. (US) 2019-03-05 — — US disclosed
US-20170362183-A1 PYRAZOLYL CARBOXYLIC ACID AND PYRAZOLYL UREA DERIVATIVE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-12-21 — — US disclosed
WO-2017213944-A1 SOLID FORMS OF CEFTOLOZANE AND PROCESSES FOR PREPARING MERCK SHARP & DOHME CORP. (US) 2017-12-14 — — WO disclosed
US-20170226126-A1 INTERMEDIATES IN THE SYNTHESIS OF CEPHALOSPORIN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-08-10 — — US disclosed
US-20170226126-A1 INTERMEDIATES IN THE SYNTHESIS OF CEPHALOSPORIN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-08-10 — — US disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 — — EP disclosed
EP-1663245-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2010-04-07 — — EP disclosed
US-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents ASTELLAS PHARMA INC. (JP) 2009-01-08 — — US disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 — — EP disclosed
US-7192943-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-03-20 — — 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
US-20050096306-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-05 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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 MAPT 2537/4885NR1I2 603/4885PPARG 4409/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 MAPT 3238/4885NR1I2 385/4885PPARG 4512/4885
US-20050004094-A1 Cephem compounds CEP170, C1S, CEPT1 MAPT 2548/4885NR1I2 617/4885PPARG 3350/4885
US-20170362183-A1 PYRAZOLYL CARBOXYLIC ACID AND PYRAZOLYL UREA DERIVATIVE COMPOUNDS UROD, PEPD, CMPK1 MAPT 1190/4885NR1I2 906/4885PPARG 316/4885
US-20050096306-A1 Cephem compounds CEP170, ASS1, C1S MAPT 3569/4885NR1I2 624/4885PPARG 3887/4885
US-20190225624-A1 INTERMEDIATES IN THE SYNTHESIS OF CEPHALOSPORIN COMPOUNDS RCSD1, PYCARD, CTRC MAPT 2093/4885NR1I2 1727/4885PPARG 3313/4885
US-11542279-B2 Solid forms of ceftolozane and processes for preparing PPP1CC, CCNC, AMPD3 MAPT 2921/4885NR1I2 3016/4885PPARG 3202/4885
US-10221196-B2 Intermediates in the synthesis of cephalosporin compounds CTRC, DCXR, XDH MAPT 4489/4885NR1I2 767/4885PPARG 1185/4885
US-20220056045-A1 SOLID FORMS OF CEFTOLOZANE AND PROCESSES FOR PREPARING PPP1CC, CCNC, AMPD3 MAPT 2921/4885NR1I2 3016/4885PPARG 3202/4885
US-20170226126-A1 INTERMEDIATES IN THE SYNTHESIS OF CEPHALOSPORIN COMPOUNDS CTRC, XDH, DCXR MAPT 4446/4885NR1I2 1066/4885PPARG 1862/4885
US-10941161-B2 Intermediates in the synthesis of cephalosporin compounds RCSD1, PYCARD, CTRC MAPT 2093/4885NR1I2 1727/4885PPARG 3313/4885
US-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents CEP170, Q6ZSR9, H1-10 MAPT 4139/4885NR1I2 899/4885PPARG 4678/4885

“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.

Send feedback