SCHEMBL16367377

SCHEMBL16367377

Cc1ccc(S(=O)(=O)OCC(O)Cn2cccc2[N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MMP2 P08253 2/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CYP24A1 Q07973 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ DHODH Q02127 1/20 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
SCHEMBL16367378 0.90 MMP2 (0.36) ALDH1A1MAPTHTTMMP2MMP9
SCHEMBL15607836 0.84 L3MBTL1 (0.36) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL16367365 0.84 MMP2 (0.36) ALDH1A1MAPTMMP2MMP9KMT2A
SCHEMBL16367348 0.83 DHODH (0.34) ALDH1A1MAPTMMP2MMP9MEN1
SCHEMBL15607876 0.82 ALDH1A1 (0.37) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL16367292 0.80 KMT2A (0.54) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL16367327 0.78 CHRM1 (0.59) ALDH1A1GAATSHREGFRERBB2
SCHEMBL16375028 0.76 L3MBTL1 (0.41) ALDH1A1MAPTKMT2AL3MBTL1CYP2C19
SCHEMBL5536543 0.76 PKM (0.42) ALDH1A1MAPTHTTKMT2AGAA
SCHEMBL5536554 0.76 PKM (0.42) ALDH1A1MAPTHTTKMT2AGAA

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.

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