SCHEMBL2466385

SCHEMBL2466385

CS(=O)(=O)CCNc1cc(C(N)=O)ccc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.37
MKNK2 Q9HBH9 2/20 0.37
MKNK1 Q9BUB5 1/20 0.37
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
AGTR1 P30556 2/20 0.35
MEN1 O00255 1/20 0.35
PTGER4 P35408 1/20 0.35
CDC7 O00311 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
GSK3B P49841 1/20 0.35
CLK4 Q9HAZ1 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
SCHEMBL2429614 0.92 PTGER4 (0.45) KDM4ESMN1; SMN2HSD17B10MKNK2KMT2A
SCHEMBL2425639 0.74 HCAR3 (0.55) KDM4EHSD17B10MKNK2MKNK1ALDH1A1
SCHEMBL23703820 0.73 KDM4E (0.52) KDM4ESMN1; SMN2HSD17B10PKMALDH1A1
SCHEMBL9650585 0.72 MAP4K4 (0.41) KDM4EHSD17B10MKNK2MKNK1KMT2A
SCHEMBL29513195 0.72 PRSS1 (0.50) KDM4EHSD17B10KMT2APKMALDH1A1
SCHEMBL2427920 0.71 HCAR3 (0.56) KDM4EHSD17B10ALDH1A1MAPTHPGD
SCHEMBL27972972 0.71 KDM6B (0.55) KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL13450266 0.71 HSP90AA1 (0.51) KMT2APTGER4
SCHEMBL2429456 0.70 PTGER4 (0.67) KDM4EKMT2AALDH1A1MAPTHPGD
SCHEMBL3141041 0.70 HCAR3 (0.57) KDM4EHSD17B10ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US claimed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US claimed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 KDM4E 4402/4885SMN1; SMN2 411/4885HSD17B10 1069/4885

“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.