SCHEMBL3551263

SCHEMBL3551263

CCOC(=O)N1CCc2cc(C=C3C(=O)N4C(C(=O)O)=CS[C@H]34)oc2C1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL3551261 1.00 TSHR (0.33) TSHRAKR1B10AKR1B1
SCHEMBL2927233 0.81 SLC5A1 (0.36) TSHR
SCHEMBL2927235 0.81 SLC5A1 (0.36) TSHR
SCHEMBL3588108 0.81 TSHR (0.32) TSHR
SCHEMBL3588111 0.81 TSHR (0.32) TSHR
SCHEMBL6089801 0.81 TSHR (0.32) TSHR
SCHEMBL4666047 0.79
SCHEMBL4666045 0.79
SCHEMBL3548202 0.79
SCHEMBL3596205 0.73 RXFP1 (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 8 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-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
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 US 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
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 (4 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-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, MGAM, PGLS TSHR 4400/4885AKR1B10 1643/4885AKR1B1 1711/4885
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, BPGM, B2M TSHR 4734/4885AKR1B10 1088/4885AKR1B1 1268/4885
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors PGLS, BPGM, B2M TSHR 4749/4885AKR1B10 873/4885AKR1B1 1000/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M TSHR 4414/4885AKR1B10 1480/4885AKR1B1 1550/4885

“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.