SCHEMBL5847680

SCHEMBL5847680

COC(=O)C1CCOc2ccc(S(=O)(=O)N3CCCC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 8/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 4/20 0.48
TSHR P16473 2/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.47
EPHX2 P34913 1/20 0.47
HPGD P15428 1/20 0.47
PKLR P30613 2/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL5847688 1.00 PKM (0.48) PKMALDH1A1LMNATSHRHTT
SCHEMBL5847684 1.00 PKM (0.48) PKMALDH1A1LMNATSHRHTT
SCHEMBL5847268 0.86 MAPT (0.51) PKMALDH1A1LMNATSHRHTT
SCHEMBL5847266 0.86 MAPT (0.51) PKMALDH1A1LMNATSHRHTT
SCHEMBL5847265 0.86 MAPT (0.51) PKMALDH1A1LMNATSHRHTT
SCHEMBL5847556 0.82 TSHR (0.37) PKMALDH1A1LMNATSHRHTT
SCHEMBL5847545 0.82 TSHR (0.37) PKMALDH1A1LMNATSHRHTT
SCHEMBL5847548 0.82 TSHR (0.37) PKMALDH1A1LMNATSHRHTT
SCHEMBL23705293 0.74 ADRA2A (0.42) ALDH1A1LMNAHTTMAPTNPSR1
SCHEMBL5846869 0.74 SLC6A4 (0.39)

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-7034051-B2 Fused bicyclic carboxamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-25 US disclosed
WO-2005023799-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-03-17 WO disclosed
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-03-10 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 (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-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 PKM 1688/4885ALDH1A1 1541/4885LMNA 1642/4885

“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.