SCHEMBL5848253

SCHEMBL5848253

CS(=O)(=O)Nc1ccc2c(c1)CC(C(=O)O)O2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.51
OPRK1 P41145 3/20 0.51
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SCN3A Q9NY46 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
SCHEMBL5848259 1.00 CYP2D6 (0.51) CYP2D6OPRK1RAB9ANPC1SMN1; SMN2
SCHEMBL5848257 1.00 CYP2D6 (0.51) CYP2D6OPRK1RAB9ANPC1SMN1; SMN2
SCHEMBL5847594 0.87 CYP2D6 (0.53) CYP2D6OPRK1RAB9ANPC1SMN1; SMN2
SCHEMBL5847599 0.87 CYP2D6 (0.53) CYP2D6OPRK1RAB9ANPC1SMN1; SMN2
SCHEMBL5847604 0.87 CYP2D6 (0.53) CYP2D6OPRK1RAB9ANPC1SMN1; SMN2
SCHEMBL5846927 0.78 OPRK1 (0.47) CYP2D6OPRK1HPGDPOLBAPEX1
SCHEMBL5846932 0.78 OPRK1 (0.47) CYP2D6OPRK1HPGDPOLBAPEX1
SCHEMBL5846930 0.78 OPRK1 (0.47) CYP2D6OPRK1HPGDPOLBAPEX1
SCHEMBL7289762 0.76 CYP2D6 (0.40) CYP2D6OPRK1SMN1; SMN2GAAHPGD
SCHEMBL24193318 0.75 TDP1 (0.46) SMN1; SMN2HPGDPOLBAPEX1RECQL

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 CYP2D6 44/4885OPRK1 268/4885RAB9A 2526/4885

“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.