SCHEMBL5503768

SCHEMBL5503768

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CNR2 P34972 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
CA1 P00915 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 1.00 GAA (0.54) GAALMNAMAPTKMT2ASMN1; SMN2
SCHEMBL11346746 0.88 GAA (0.48) GAALMNAMAPTKMT2ASMN1; SMN2
SCHEMBL5508322 0.87 NPSR1 (0.54) GAALMNAMAPTKMT2ASMN1; SMN2
SCHEMBL11714283 0.86 GAA (0.64) GAALMNAMAPTKMT2ASMN1; SMN2
SCHEMBL11342790 0.82 KMT2A (0.53) LMNAKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL11346990 0.77 ALDH1A1 (0.50) LMNAMAPTKMT2ASMN1; SMN2TP53
SCHEMBL11349061 0.77 ALDH1A1 (0.50) LMNAMAPTKMT2ASMN1; SMN2TP53
SCHEMBL5508077 0.77 ALDH1A1 (0.50) LMNAMAPTKMT2ASMN1; SMN2TP53
SCHEMBL5504001 0.77 ALDH1A1 (0.50) LMNAMAPTKMT2ASMN1; SMN2TP53
SCHEMBL5508282 0.76 ALDH1A1 (0.51) LMNAMAPTKMT2ASMN1; SMN2TP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101146770-A 2-phenyl indoles as prostaglandin D2 receptor antagonists AVENTIS PHARMA INC (US) 2008-03-19 CN disclosed
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
EP-0001051-B1 DERIVATIVES OF BENZENESULFONAMIDE, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-11 EP disclosed
US-4235918-A SALIDIURETICS, TREATMENT OF HYPERTONIC CONDITIONS HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-25 US disclosed
EP-0001051-A2 Derivatives of benzenesulfonamide, method for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-03-21 EP 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 GAA 4190/4885LMNA 3830/4885MAPT 2224/4885

“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.