SCHEMBL6511352

SCHEMBL6511352

COc1ccc2c(c1)=NC(S)(S(=O)(=O)c1c(C)cc(OC(C)C(=O)O)cc1C)N=2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 2/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 1/20 0.34
APOBEC3A P31941 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
PTGS2 P35354 3/20 0.33
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
TSHR P16473 3/20 0.33
PTGS1 P23219 2/20 0.33

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
SCHEMBL5377787 0.82 POLB (0.45) ALDH1A1HPGDGAAPOLBTSHR
SCHEMBL5366652 0.70 HPGD (0.38) ALDH1A1HPGDGAATSHRKMT2A
SCHEMBL6511360 0.69 TDP1 (0.43) TDP1ALDH1A1KDM4ECYP1A2GAA
SCHEMBL6511241 0.69 TDP1 (0.47) TDP1ALDH1A1HPGDGAACYP2C9
SCHEMBL6504667 0.68 TDP1 (0.58) TDP1ALDH1A1KDM4EHPGDCYP1A2
SCHEMBL5359135 0.67 MAPK1 (0.39) TDP1ALDH1A1KDM4EPOLBKMT2A
SCHEMBL6506827 0.66 MAPT (0.48) TDP1ALDH1A1AKR1C3AKR1C2KMT2A
SCHEMBL6506834 0.66 MAPT (0.48) TDP1ALDH1A1AKR1C3AKR1C2KMT2A
SCHEMBL8406823 0.66 TDP1 (1.00) TDP1ALDH1A1KDM4EHPGDCYP1A2
Lactisole SCHEMBL10667608 0.66 GAA (0.67) TDP1ALDH1A1KDM4EHPGDCYP1A2

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 2288/4885ALDH1A1 405/4885KDM4E 1796/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI TDP1 2456/4885ALDH1A1 494/4885KDM4E 1670/4885

“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.