SCHEMBL4202196

SCHEMBL4202196

CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(C=Cc3ccc([N+](=O)[O-])cc3)CS[C@@H]12)c1csc(N)n1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.60
▸ PPARG P37231 2/20 0.60
▸ PGR P06401 2/20 0.60
▸ ESR1 P03372 2/20 0.60
▸ TDP1 Q9NUW8 4/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ APAF1 O14727 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ APEX1 P27695 1/20 0.58
▸ PLCG1 P19174 1/20 0.58
▸ ABCC2 Q92887 1/20 0.58
▸ SIRT5 Q9NXA8 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ PSMD14 O00487 1/20 0.58
▸ MMP2 P08253 1/20 0.58
▸ MAPT P10636 3/20 0.57
▸ ABCC4 O15439 1/20 0.57
▸ CNR1 P21554 1/20 0.57
▸ CTDSP1 Q9GZU7 1/20 0.57

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
SCHEMBL4202194 1.00 NR1I2 (0.60) NR1I2PPARGPGRESR1TDP1
SCHEMBL4200084 0.92 NR1I2 (0.65) NR1I2PPARGPGRESR1TDP1
SCHEMBL4200080 0.92 NR1I2 (0.65) NR1I2PPARGPGRESR1TDP1
SCHEMBL5712723 0.91 NR1I2 (0.55) NR1I2PPARGPGRESR1TDP1
SCHEMBL4196116 0.91 NR1I2 (0.57) NR1I2PPARGPGRESR1TDP1
SCHEMBL12292442 0.91 NR1I2 (0.57) NR1I2PPARGPGRESR1TDP1
SCHEMBL4196121 0.91 NR1I2 (0.57) NR1I2PPARGPGRESR1TDP1
SCHEMBL20854686 0.90 TDP1 (0.60) NR1I2PPARGPGRESR1TDP1
SCHEMBL20854699 0.90 TDP1 (0.60) NR1I2PPARGPGRESR1TDP1
SCHEMBL20886850 0.90 TDP1 (0.60) 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 14 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 claimed
US-6897304-B2 Cephem compounds and ESBL-detecting reagents containing the same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2005-05-24 — — US claimed
US-20040019202-A1 Cephem compounds and esbl-detecting reagents containing the same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2004-01-29 — — US claimed
EP-1325923-A1 CEPHEM COMPOUNDS AND ESBL-DETECTING REAGENTS CONTAINING THE SAME ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2003-07-09 — — EP claimed
US-20150211044-A1 QUICK METHOD FOR DETECTING ENYZMES AND MICROORGANISMS BIO-RAD EUROPE GMBH (CH) 2015-07-30 — — US disclosed
US-9012167-B2 Quick method for detecting enzymes and microorganisms BIO-RAD INNOVATIONS (FR) 2015-04-21 — — US disclosed
US-20130089883-A1 QUICK METHOD FOR DETECTING ENYZMES AND MICROORANISMS BIO-RAD INNOVATIONS (FR) 2013-04-11 — — US disclosed
EP-1557473-B1 REAGENT COMPOSITION FOR DISCRIMINATING BETA-LACTAMASES, KIT AND METHOD THEREOF SHOWA PHARM CHEM IND (JP) 2009-03-11 — — EP disclosed
EP-1325923-B1 CEPHEM COMPOUNDS AND ESBL-DETECTING REAGENTS CONTAINING THE SAME ZENYAKU KOGYO KK (JP) 2006-12-06 — — EP disclosed
US-20060014230-A1 Beta-lactamase detecting reagent composition, detection kit and detection method SHOWA YAKUHIN KAKO CO., LTD. (JP) 2006-01-19 — — US disclosed
EP-1557473-A1 REAGENT COMPOSITION FOR DETECTING beta-LACTAMASE, DETECTION KIT AND DETECTION METHOD Showa Yakuhin Kako Co., Ltd (JP) 2005-07-27 — — 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

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-20060014230-A1 Beta-lactamase detecting reagent composition, detection kit and detection method NAAA, CPN1, CMBL NR1I2 4461/4885PPARG 4188/4885PGR 4149/4885
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.

Send feedback