SCHEMBL6506827

SCHEMBL6506827

COc1ccc(NS(=O)(=O)c2c(C)cc(OC(C)C(=O)O)cc2C)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.46
AKR1C3 P42330 4/20 0.46
AKR1C2 P52895 4/20 0.46
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C1 Q04828 1/20 0.44
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43

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
SCHEMBL6506834 1.00 MAPT (0.48) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6224655 0.84 MAPT (0.53) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6511241 0.83 TDP1 (0.47) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5724315 0.83 MAPT (0.52) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5366036 0.83 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5366028 0.83 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5724310 0.82 MAPT (0.50) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5369496 0.80 MEN1 (0.50) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5364442 0.78 MEN1 (0.50) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL11166706 0.78 AKR1C3 (0.71) MAPTSMN1; SMN2MEN1KMT2ALMNA

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 MAPT 4128/4885SMN1; SMN2 2578/4885MEN1 1242/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI MAPT 4098/4885SMN1; SMN2 2370/4885MEN1 1915/4885

“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.