SCHEMBL3391374

SCHEMBL3391374

Cc1ccc(S(=O)(=O)CCC(Oc2ccc(S(=O)(=O)Cl)cc2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.48
PPARA Q07869 6/20 0.48
KMT2A Q03164 2/20 0.48
MMP1 P03956 2/20 0.44
MMP13 P45452 2/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTRC Q99895 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
PLA2G2C Q5R387 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 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
SCHEMBL9696460 0.82 PPARA (0.58) PPARGPPARAKMT2AALDH1A1CYP3A4
SCHEMBL9858289 0.80 PPARG (0.51) PPARGPPARAKMT2AALDH1A1CYP3A4
SCHEMBL6478045 0.75 PTGDR2 (0.39) KMT2AALDH1A1HTTLMNAPLA2G2C
SCHEMBL4257140 0.73 PPARG (0.65) PPARGPPARACTRC
SCHEMBL2276993 0.70 PPARG (0.40) PPARGPPARACTRC
SCHEMBL3391356 0.70 GAA (0.52) KMT2AMMP1ALDH1A1CYP3A4CYP2C19
SCHEMBL8935844 0.70 SMN1; SMN2 (0.70) PPARGPPARA
SCHEMBL8935859 0.70 SMN1; SMN2 (0.70) PPARGPPARA
SCHEMBL1171344 0.70 SMN1; SMN2 (0.70) PPARGPPARA
SCHEMBL9696465 0.70 PPARA (0.55) PPARGPPARACTRCTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317689-A1 Prodrugs of proton pump inhibitors including the 1h-imidazo[4,5-b] pyridine moiety ALEVIUM PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100113524-A1 Prodrugs of proton pump inhibitors including the (1h-pyrrol-1-yl)-1h-benzimidazole moiety ALEVIUM PHARMACEUTICALS, INC. 2010-05-06 US disclosed
WO-2008036201-A1 PRODRUGS OF PROTON PUMP INHIBITORS INCLUDING THE 1H-IMIDAZO[4,5-B] PYRIDINE MOIETY ALEVIUM PHARMACEUTICALS, INC. (US) 2008-03-27 WO disclosed
WO-2008036211-A1 PRODRUGS OF PROTON PUMP INHIBITORS INCLUDING THE (1H-PYRROL-1-YL)-1H-BENZIMIDAZOLE MOIETY ALEVIUM PHARMACEUTICALS, INC. (US) 2008-03-27 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 (2 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-20100317689-A1 Prodrugs of proton pump inhibitors including the 1h-imidazo[4,5-b] pyridine moiety ABCB11, ATP6AP1, CYP4B1 PPARG 2401/4885PPARA 2721/4885KMT2A 1889/4885
US-20100113524-A1 Prodrugs of proton pump inhibitors including the (1h-pyrrol-1-yl)-1h-benzimidazole moiety ABCB11, ATP6AP1, PAH PPARG 1952/4885PPARA 2499/4885KMT2A 2644/4885

“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.