SCHEMBL3949607

SCHEMBL3949607

O=C(O)C1=CCS[C@H]2C(=O)C(=O)N12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC15A2 Q16348 1/20 0.33
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
PTGS2 P35354 1/20 0.33
SPOP O43791 1/20 0.30

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
SCHEMBL3949605 1.00 KDM4E (0.33) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL8669676 0.85 KDM4E (0.35) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL10429508 0.82 KDM4E (0.32) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL11130790 0.81 NR1I2 (0.32) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL4048933 0.81 KDM4E (0.30) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL4048939 0.81 KDM4E (0.30) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL10429526 0.76 NR1I2 (0.32) NR1I2PGRPTGS2
SCHEMBL11497574 0.75 KDM4E (0.40) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL6731795 0.74
SCHEMBL3188369 0.74 KDM4E (0.34) KDM4EALDH1A1CYP3A4MAPTAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488724-B2 7-alkylidene-3-substituted-3-cephem-4-carboxylates as beta-lactamase inhibitors SOUTHERN METHODIST UNIVERSITY FOUNDATION FOR RESEARCH (US) 2009-02-10 US disclosed
EP-1430060-B1 7-ALKYLIDENE-3-SUBSTITUTED-3-CEPHEM-4-CARBOXYLATES AS BETA-LACTAMASE INHIBITORS. UNIV SOUTHERN METHODIST (US) 2006-09-13 EP disclosed
US-20060074065-A1 7-alkylidene-3-substituted-3-cephem-4-carboxylates as beta-lactamase inhibitors ALAMX LLC 2006-04-06 US disclosed
US-6916801-B2 7-Alkylidene-3-substituted-3-cephem-4-carboxylates as β-lactamase inhibitors ALAMX, LLC (US) 2005-07-12 US disclosed
EP-1430060-A2 7-ALKYLIDENE-3-SUBSTITUTED-3-CEPHEM-4-CARBOXYLATES AS BETA-LACTAMASE INHIBITORS. ALAMX, L.L.C. (US) 2004-06-23 EP disclosed
US-20030092696-A1 7-Alkylidene-3-substituted-3-cephem-4-carboxylates as beta-lactamase inhibitors SOUTHERN METHODIST UNIVERSITY FOUNDATION FOR RESEARCH 2003-05-15 US disclosed
WO-2003020732-A2 7-ALKYLIDENE-3-SUBSTITUTED-3-CEPHEM-4-CARBOXYLATES AS BETA-LACTAMASE INHIBITORS. ALAMX, L.L.C. (US) 2003-03-13 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 (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-20060074065-A1 7-alkylidene-3-substituted-3-cephem-4-carboxylates as beta-lactamase inhibitors CMBL, CES2, BCHE KDM4E 123/4885ALDH1A1 212/4885CYP3A4 11/4885
US-20030092696-A1 7-Alkylidene-3-substituted-3-cephem-4-carboxylates as beta-lactamase inhibitors CES1, SULT1E1, CES2 KDM4E 122/4885ALDH1A1 80/4885CYP3A4 11/4885

“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.