SCHEMBL5508322

SCHEMBL5508322

CCN(C1CCCCC1)S(=O)(=O)c1cc(C(=O)CCC(=O)O)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.54
SMN1; SMN2 Q16637 5/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 6/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 2/20 0.39
RORC P51449 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CNR2 P34972 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
SCHEMBL5510057 0.87 GAA (0.54) NPSR1SMN1; SMN2KMT2ATSHRMCOLN3
SCHEMBL5503768 0.87 GAA (0.54) NPSR1SMN1; SMN2KMT2ATSHRMCOLN3
SCHEMBL11342790 0.78 KMT2A (0.53) SMN1; SMN2KMT2ATSHRCYP1A2CYP2C19
SCHEMBL5504045 0.77 SMN1; SMN2 (0.63) NPSR1SMN1; SMN2KMT2ATSHRCYP1A2
SCHEMBL11354188 0.76 SMN1; SMN2 (0.59) SMN1; SMN2KMT2ATSHRCYP1A2CYP2C19
SCHEMBL11346746 0.76 GAA (0.48) NPSR1SMN1; SMN2KMT2ATSHRCYP1A2
SCHEMBL11346990 0.76 ALDH1A1 (0.50) SMN1; SMN2KMT2ATSHRALDH1A1MEN1
SCHEMBL5504001 0.76 ALDH1A1 (0.50) SMN1; SMN2KMT2ATSHRALDH1A1MEN1
SCHEMBL5508077 0.76 ALDH1A1 (0.50) SMN1; SMN2KMT2ATSHRALDH1A1MEN1
SCHEMBL11349061 0.76 ALDH1A1 (0.50) SMN1; SMN2KMT2ATSHRALDH1A1MEN1

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-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
EP-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 EP disclosed
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 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-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGDR2, PTGDR, CYSLTR2 NPSR1 215/4885SMN1; SMN2 2618/4885KMT2A 4133/4885

“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.