SCHEMBL3554429

SCHEMBL3554429

CCOC(=O)c1cnn2c1SCC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 3/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALOX15 P16050 1/20 0.40
PDE4B Q07343 1/20 0.39
RECQL P46063 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL2929584 0.78 KDM4E (0.41) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL17574560 0.75 TSHR (0.45) KDM4ERAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4820236 0.72 LMNA (0.48) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9020097 0.72 SMN1; SMN2 (0.43) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3549356 0.72 KDM4E (0.41) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2929945 0.71 ALDH1A1 (0.48) KDM4ERAB9ANPC1ALDH1A1HPGD
SCHEMBL2923165 0.71 KDM4E (0.43) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL18421502 0.71 RAB9A (0.43) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9020033 0.71 LMNA (0.44) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3546416 0.70 KMT2A (0.42) KDM4ERAB9ANPC1ALDH1A1KMT2A

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 13 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-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 KDM4E 1977/4885RAB9A 1712/4885NPC1 800/4885
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, MGAM, PGLS KDM4E 431/4885RAB9A 926/4885NPC1 2612/4885
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, BPGM, B2M KDM4E 1114/4885RAB9A 2043/4885NPC1 1707/4885
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors PGLS, BPGM, B2M KDM4E 957/4885RAB9A 1874/4885NPC1 1173/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M KDM4E 916/4885RAB9A 1648/4885NPC1 2248/4885

“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.