SCHEMBL3591179

SCHEMBL3591179

O=Cc1cn2c(n1)sc1cc(F)ccc12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
TP53 P04637 4/20 0.44
THRB P10828 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2928737 0.83 PARP10 (0.51) MAPTTP53LMNARAB9A
SCHEMBL20518826 0.80 PARP15 (0.54) MAPTTP53THRBSMN1; SMN2LMNA
SCHEMBL2930089 0.80 MAPT (0.60) MAPTTP53THRBSMN1; SMN2LMNA
SCHEMBL2928228 0.79 TNKS2 (0.46) TP53THRBSMN1; SMN2LMNARAB9A
Hydrochloric Acid SCHEMBL10464592 0.79 MAPT (0.47) MAPTTP53THRBSMN1; SMN2LMNA
SCHEMBL17621008 0.77 THRB (0.44) MAPTTP53THRBSMN1; SMN2
SCHEMBL27601944 0.74 MAPT (0.54) MAPTTP53THRBSMN1; SMN2LMNA
SCHEMBL27706618 0.74 MAPT (0.42) MAPTTP53THRBSMN1; SMN2LMNA
SCHEMBL3592857 0.74 MAPT (0.42) MAPTTP53THRBSMN1; SMN2
SCHEMBL4267704 0.74

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-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
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 2992/4885THRB 3665/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP MAPT 2034/4885TP53 3728/4885THRB 1339/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP MAPT 2034/4885TP53 3728/4885THRB 1339/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM MAPT 3913/4885TP53 3896/4885THRB 2156/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP MAPT 2074/4885TP53 3602/4885THRB 1335/4885

“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.