SCHEMBL3592857

SCHEMBL3592857

OCc1cn2c(n1)sc1cc(F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
TP53 P04637 3/20 0.42
HCAR2 Q8TDS4 3/20 0.41
THRB P10828 2/20 0.40
CYP2C9 P11712 2/20 0.40
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP14 Q460N5 1/20 0.38
PARP10 Q53GL7 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP11 Q9NR21 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PARP4 Q9UKK3 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL27706618 0.86 MAPT (0.42) MAPTTP53HCAR2THRBCYP2C9
SCHEMBL2928231 0.83 PARP15 (0.51) MAPTTP53HCAR2THRBCYP2C9
SCHEMBL30085725 0.80 LMNA (0.43) MAPTTP53HCAR2THRBCYP2C9
SCHEMBL2930357 0.80 MAPT (0.60) MAPTTP53THRBPARP15PARP10
SCHEMBL30753117 0.80 MAPT (0.60) MAPTTP53THRBPARP15PARP10
SCHEMBL2928704 0.79 HCAR2 (0.53) HCAR2THRBCYP2C9TNKS2PARP2
Hydrochloric Acid SCHEMBL10464592 0.79 MAPT (0.47) MAPTTP53THRBPARP15PARP14
Bromide SCHEMBL10427595 0.79 MAPT (0.59) MAPTTP53THRBPARP15PARP10
SCHEMBL17621008 0.77 THRB (0.44) MAPTTP53THRBSMN1; SMN2
SCHEMBL27601944 0.74 MAPT (0.54) MAPTTP53THRBPARP15PARP14

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-7691842-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-04-06 US disclosed
EP-1499622-B1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS WYETH CORP (US) 2009-03-11 EP disclosed
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-25 US disclosed
CN-101189010-A Tricyclic 6-alkylidene-penems as class D beta-lactamase inhibitors WYETH CORP (US) 2008-05-28 CN disclosed
EP-1885358-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D ß-LACTAMASES INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-02-13 EP disclosed
WO-2007030166-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D β-LACTAMASES INHIBITORS WYETH (US) 2007-03-15 WO disclosed
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 US disclosed
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH (US) 2006-04-06 US disclosed
US-7018997-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-03-28 US disclosed
EP-1499622-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE 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-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH 2004-03-04 US disclosed
WO-2003093280-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS ΒΕΤΑ-LACTAMASE 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 MAPT 3052/4885TP53 2992/4885HCAR2 4538/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP MAPT 2034/4885TP53 3728/4885HCAR2 3815/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP MAPT 2034/4885TP53 3728/4885HCAR2 3815/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM MAPT 3913/4885TP53 3896/4885HCAR2 3941/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP MAPT 2074/4885TP53 3602/4885HCAR2 3858/4885

“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.