SCHEMBL3553152

SCHEMBL3553152

CCC1Cn2nc(C(=O)O)cc2O1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.36
TP53 P04637 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 4/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.32
GAA P10253 3/20 0.32
MARS1 P56192 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
POLB P06746 3/20 0.31
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GLA P06280 1/20 0.31
APOBEC3A P31941 1/20 0.30
BLM P54132 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL28626435 0.87 KDM4E (0.34) RIPK1HTTPOLBKDM4E
SCHEMBL28626441 0.82 KDM4E (0.32) KDM4E
SCHEMBL23652755 0.79 KDM4E (0.34) ALDH1A1POLBKDM4E
SCHEMBL23645451 0.79 KMO (0.32) RIPK1
SCHEMBL23652648 0.79 KMO (0.32)
SCHEMBL23652816 0.78 DAO (0.33)
SCHEMBL23652650 0.77 POLB (0.31) POLB
SCHEMBL23645426 0.77 KDM4E (0.35) ALDH1A1POLBKDM4E
SCHEMBL23653011 0.77 KDM4E (0.33) POLBKDM4E
SCHEMBL23645330 0.76 KMO (0.30)

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
US-7812014-B2 Bicyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-10-12 US disclosed
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-18 US disclosed
EP-1988093-A1 Bicyclic 6-alkylidene-penems as beta-lactamases inhibitors Wyeth a Corporation of the State of Delaware (US) 2008-11-05 EP disclosed
EP-1885357-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D BETA-LACTAMASES INHIBITORS Wyeth (US) 2008-02-13 EP disclosed
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 US disclosed
WO-2006130588-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D BETA-LACTAMASES INHIBITORS WYETH (US) 2006-12-07 WO disclosed
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH (US) 2006-09-28 US disclosed
US-7112582-B2 Bicyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-09-26 US disclosed
EP-1499621-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASES INHIBITORS Wyeth (US) 2005-01-26 EP disclosed
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 US disclosed
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors WYETH 2004-04-22 US disclosed
WO-2003093279-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS ß-LACTAMASES INHIBITORS WYETH (US) 2003-11-13 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 (5 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-20040132708-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 RIPK1 3999/4885TP53 2992/4885MEN1 838/4885
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, MGAM, PGLS RIPK1 4117/4885TP53 4377/4885MEN1 3520/4885
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, BPGM, B2M RIPK1 4384/4885TP53 4211/4885MEN1 2819/4885
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors PGLS, BPGM, B2M RIPK1 4336/4885TP53 4309/4885MEN1 2190/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M RIPK1 4386/4885TP53 4187/4885MEN1 3099/4885

“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.