SCHEMBL16367389

SCHEMBL16367389

Cc1ccc(S(=O)(=O)OCC(O)Cn2cnc([N+](=O)[O-])c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 3/20 0.38
TAAR1 Q96RJ0 1/20 0.38
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL16367390 0.90 L3MBTL1 (0.38) ALDH1A1MAPTHTTL3MBTL1PKM
SCHEMBL16367345 0.85 L3MBTL1 (0.38) ALDH1A1MAPTHTTL3MBTL1PKM
SCHEMBL16367306 0.84 L3MBTL1 (0.40) ALDH1A1MAPTHTTL3MBTL1PKM
SCHEMBL16367346 0.84 L3MBTL1 (0.37) ALDH1A1MAPTHTTL3MBTL1PKM
SCHEMBL5536554 0.81 PKM (0.42) ALDH1A1MAPTHTTPKMUSP2
SCHEMBL5536543 0.81 PKM (0.42) ALDH1A1MAPTHTTPKMUSP2
SCHEMBL11867519 0.81 PKM (0.41) ALDH1A1MAPTHTTL3MBTL1PKM
SCHEMBL15607849 0.77 TAAR1 (0.56) ALDH1A1MAPTHTTL3MBTL1PKM
SCHEMBL15557382 0.77 ALDH1A1 (0.37) ALDH1A1MAPTHTTL3MBTL1PKM
SCHEMBL15607876 0.76 ALDH1A1 (0.37) ALDH1A1MAPTHTTUSP2TSHR

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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 US disclosed
US-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 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 (1 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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation CBR1, CBR3, BLVRB ALDH1A1 140/4885MAPT 3982/4885HTT 4145/4885

“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.