SCHEMBL5847229

SCHEMBL5847229

CN(C1CC1)S(=O)(=O)c1ccc2c(c1)CC[C@@H](C(=O)O)O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR2A P28223 7/20 0.43
HTR2C P28335 7/20 0.43
GPR55 Q9Y2T6 1/20 0.42
CYP2D6 P10635 2/20 0.42
OPRK1 P41145 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PPARG P37231 2/20 0.39
PPARA Q07869 1/20 0.39
CYP4F2 P78329 1/20 0.39

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
SCHEMBL5846709 1.00 GAA (0.48) GAAALDH1A1LMNAKDM4EMEN1
SCHEMBL5846816 1.00 GAA (0.48) GAAALDH1A1LMNAKDM4EMEN1
SCHEMBL5847381 0.80 CYP2D6 (0.50) CYP2D6OPRK1PPARGPPARACYP4F2
SCHEMBL5847391 0.80 CYP2D6 (0.50) CYP2D6OPRK1PPARGPPARACYP4F2
SCHEMBL5847385 0.80 CYP2D6 (0.50) CYP2D6OPRK1PPARGPPARACYP4F2
SCHEMBL5847221 0.75 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2NPSR1HTR2CL3MBTL1
SCHEMBL5847218 0.75 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2NPSR1HTR2CL3MBTL1
SCHEMBL5847215 0.75 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2NPSR1HTR2CL3MBTL1
SCHEMBL433940 0.74 CYP4F2 (0.50) KMT2ASMN1; SMN2PPARGPPARACYP4F2
SCHEMBL7296313 0.73 PPARG (0.51) ALDH1A1LMNAMEN1KMT2APOLB

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 GAA 637/4885ALDH1A1 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.