SCHEMBL2924718

SCHEMBL2924718

COc1ccc(CN2CCc3sc(C=C4C(=O)N5C(C(=O)O)=CS[C@H]45)cc3C2)cc1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
TNF P01375 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
MAPT P10636 2/20 0.37
ACHE P22303 3/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
COMT P21964 1/20 0.35

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
SCHEMBL2924715 1.00 ABCB1 (0.39) ABCB1ABCC1ABCG2TNFNOD2
SCHEMBL2927627 0.90 PRMT5 (0.43) MAPTACHE
SCHEMBL2927629 0.90 PRMT5 (0.43) MAPTACHE
SCHEMBL3261962 0.85 ABCB1 (0.41) ABCB1ABCC1ABCG2TNFNOD2
SCHEMBL3261966 0.85 ABCB1 (0.41) ABCB1ABCC1ABCG2TNFNOD2
SCHEMBL2927495 0.80
SCHEMBL3549828 0.78
SCHEMBL3549826 0.78
SCHEMBL2927233 0.78 SLC5A1 (0.36) MAPT
SCHEMBL3222478 0.75 PRMT5 (0.45) MAPTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112582-B2 Bicyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-09-26 US claimed
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors WYETH 2004-04-22 US claimed
EP-1499620-B1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH CORP (US) 2010-01-27 EP disclosed
US-7112582-B2 Bicyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-09-26 US disclosed
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors WYETH 2004-04-22 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 (1 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-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors PGLS, BPGM, B2M ABCB1 74/4885ABCC1 318/4885ABCG2 1250/4885

“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.