SCHEMBL6511360

SCHEMBL6511360

COc1ccc2c(c1)nc(S)n2S(=O)(=O)c1c(C)cc(OC(C)C(=O)O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
PPARG P37231 4/20 0.36
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
TSHR P16473 2/20 0.36
CDC42 P60953 1/20 0.36
RAC1 P63000 1/20 0.36
CYP1A2 P05177 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
ACSS2 Q9NR19 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 1/20 0.34
HTR6 P50406 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARA Q07869 3/20 0.34

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
SCHEMBL5726545 0.83 ALDH1A1 (0.40) TDP1TSHRCYP1A2ALDH1A1LMNA
SCHEMBL5377800 0.83 TSHR (0.42) TDP1TSHRALDH1A1LMNAHTT
SCHEMBL14356225 0.80 MAPK1 (0.39) TDP1TSHRALDH1A1LMNAHTT
SCHEMBL5378083 0.70 RORC (0.35) TSHRCYP1A2ALDH1A1LMNAHTT
SCHEMBL14356239 0.70 SMN1; SMN2 (0.49) TSHRALDH1A1L3MBTL1GAA
SCHEMBL6511352 0.69 TDP1 (0.46) TDP1PPARGPTGS2PTGS1AKR1C3
SCHEMBL14387883 0.69 MAPK1 (0.48) TSHRALDH1A1LMNAPOLBGAA
SCHEMBL5359147 0.69 CXCL8 (0.44) PPARGTSHRALDH1A1LMNAHTT
SCHEMBL14356278 0.67 CXCL8 (0.44) TDP1PPARGTSHRALDH1A1LMNA
SCHEMBL6511241 0.66 TDP1 (0.47) TDP1TSHRALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182101-A1 Prodrugs of proton pump inhibitors GARST MICHAEL (US) 2005-08-18 US disclosed
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention GARST MICHAEL (US) 2005-06-30 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 (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-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI TDP1 2288/4885PPARG 2376/4885PTGS2 319/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI TDP1 2456/4885PPARG 1908/4885PTGS2 449/4885

“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.