SCHEMBL6503068

SCHEMBL6503068

Cc1cc(OCC(=O)OCCS(=O)(=O)Cc2ccccc2)cc(C)c1S(=O)(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FFAR1 O14842 4/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL15413021 0.84 LMNA (0.47) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL6229358 0.81 GAA (0.37) MCL1LMNAMAPTGAANPSR1
SCHEMBL5762956 0.78 KMT2A (0.44) MCL1KMT2ALMNANPC1GAA
SCHEMBL14356223 0.73 PTGS2 (0.46) LMNANPC1GAAMAPK1ALDH1A1
SCHEMBL5367871 0.73 MCL1 (0.55) MCL1MEN1KMT2ALMNAGAA
SCHEMBL5763589 0.70 ALDH1A1 (0.39) MCL1KMT2ANPC1GAANPSR1
SCHEMBL15412587 0.70 OGG1 (0.43) MCL1MEN1KMT2ALMNAALDH1A1
SCHEMBL2276990 0.69 MCL1 (0.56) MCL1FFAR1MAPTPPARGPPARA
SCHEMBL14958764 0.68 TSHR (0.44) MCL1LMNAMAPTGAAMAPK1
SCHEMBL2844790 0.67 LMNA (0.56) MEN1KMT2ALMNANPSR1SMN1; SMN2

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 MCL1 2875/4885MEN1 1242/4885KMT2A 2592/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI MCL1 3190/4885MEN1 1915/4885KMT2A 2545/4885

“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.