SCHEMBL2928531

SCHEMBL2928531

Cn1c(C=O)cnc1-c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.36
PDPK1 O15530 1/20 0.34
CYP2A6 P11509 1/20 0.34
HSF1 Q00613 1/20 0.34
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
CHEK1 O14757 1/20 0.32
SPHK2 Q9NRA0 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
ADRB2 P07550 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMPD3 Q9NY59 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31

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
SCHEMBL2040756 0.72 KDM4E (0.45) NPC1RAB9AALDH1A1
SCHEMBL2047421 0.71 PDE10A (0.44) PDE10APDPK1HSF1NPC1PKM
SCHEMBL858846 0.70
SCHEMBL4946512 0.69 NPC1 (0.38) PDE10APDPK1CYP2A6HSF1NPC1
SCHEMBL4031631 0.69 KMT2A (0.40) CYP2A6ALDH1A1
SCHEMBL22728125 0.68 NPC1 (0.40) PDE10APDPK1CYP2A6HSF1NPC1
SCHEMBL1316525 0.67 TDP1 (0.40) PDPK1CYP2A6ADORA3ADORA2AADORA1
SCHEMBL474103 0.67 HPGDS (0.51) NPC1RAB9ACHEK1ADORA2ATDP1
SCHEMBL25436203 0.67 DRD3 (0.31)
SCHEMBL19244945 0.67 NPC1 (0.43) CYP2A6NPC1PKMRECQLRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499620-B1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH CORP (US) 2010-01-27 EP disclosed
CN-100516069-C Process for preparing 6-alkylidene penem derivatives WYETH CORP (US) 2009-07-22 CN disclosed
CN-1649881-A Process for preparing 6-alkylidene penem derivatives WYETH CORP (US) 2005-08-03 CN disclosed
EP-1499620-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES Wyeth (US) 2005-01-26 EP disclosed
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 US disclosed
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-03-18 US disclosed
WO-2003093277-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES 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 (2 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 PDE10A 2144/4885PDPK1 3370/4885CYP2A6 11/4885
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 PDE10A 2144/4885PDPK1 3370/4885CYP2A6 11/4885

“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.