SCHEMBL6511372

SCHEMBL6511372

COc1ccc2nc(S)[nH]c2c1S(=O)(=O)c1c(C)cc(OC(C)C(=O)O)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 3/20 0.34
TSHR P16473 3/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
APEX1 P27695 1/20 0.31
MEN1 O00255 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
POLB P06746 1/20 0.30
APOBEC3A P31941 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL6511355 0.85 TDP1 (0.39) TDP1KMT2ATSHRHTR2AHTR2C
SCHEMBL6505216 0.77 BRS3 (0.52) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6503400 0.77 CYP2C9 (0.39) TDP1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5366663 0.73 PDE3B (0.36) KMT2ATSHRHPGDRXFP1HSD17B10
SCHEMBL5378090 0.71 PAX8 (0.36) ALDH1A1POLB
SCHEMBL5359154 0.69 PDE10A (0.40) KMT2AKDM4EALDH1A1HPGDMEN1
SCHEMBL5370935 0.68 SNCA (0.40) KMT2ATSHRKDM4EALDH1A1HPGD
SCHEMBL6205809 0.68 CYP2C9 (0.55) KMT2AKDM4EALDH1A1HPGDMEN1
SCHEMBL6505209 0.67 BRS3 (0.50) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5370454 0.66 DGAT1 (0.37) KMT2AALDH1A1HPGDMEN1

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 2288/4885KMT2A 2592/4885TSHR 1929/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI TDP1 2456/4885KMT2A 2545/4885TSHR 2077/4885

“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.