SCHEMBL2217850

SCHEMBL2217850

Cc1ccc(S(=O)(=O)O)c(C2CCCCC(c3cc(C)ccc3S(=O)(=O)O)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.38
EPHX2 P34913 5/20 0.37
TP53 P04637 2/20 0.37
CASP1 P29466 1/20 0.37
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL5278348 0.98 PTGDR2 (0.47) PTGDR2SMN1; SMN2EPHX2TP53CASP1
SCHEMBL361128 0.97 PTGDR2 (0.49) PTGDR2SMN1; SMN2EPHX2TP53CASP1
SCHEMBL30764027 0.95 PTGDR2 (0.43) PTGDR2SMN1; SMN2EPHX2TP53CASP1
SCHEMBL9101971 0.95 PTGDR2 (0.39) PTGDR2SMN1; SMN2EPHX2MAPTALDH1A1
SCHEMBL21438419 0.91 PTGDR2 (0.45) PTGDR2SMN1; SMN2EPHX2LMNAMAPT
SCHEMBL3387056 0.89 PTGDR2 (0.36) PTGDR2EPHX2MAPTALDH1A1NOS3
SCHEMBL9101617 0.89 CHRNB2 (0.39) PTGDR2SMN1; SMN2EPHX2TP53CASP1
SCHEMBL778056 0.88 PTGDR2 (0.35) PTGDR2EPHX2MAPTALDH1A1MEN1
SCHEMBL9099567 0.86 SCN9A (0.38) PTGDR2EPHX2MAPTALDH1A1ATM
SCHEMBL16712213 0.85 NOS3 (0.45) PTGDR2SMN1; SMN2EPHX2TP53CASP1

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-20110178119-A1 Bridged N-Bicyclic Sulfonamido Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. (US) 2011-07-21 US disclosed
EP-1915371-A2 BRIDGED N-BICYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals Inc. (US) 2008-04-30 EP disclosed
WO-2007024651-A2 BRIDGED N-BICYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2007-03-01 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 (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-20110178119-A1 Bridged N-Bicyclic Sulfonamido Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 PTGDR2 1769/4885SMN1; SMN2 765/4885EPHX2 296/4885

“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.