SCHEMBL16375028

SCHEMBL16375028

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ STAT3 P40763 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PSMD10 O75832 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ CYP24A1 Q07973 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL15607838 0.86 CYP2C19 (0.39) EGFRERBB2CA12CA1CA2
SCHEMBL15607875 0.84 EGFR (0.43) L3MBTL1EGFRERBB2CA12CA1
SCHEMBL16375027 0.82 LMNA (0.59) L3MBTL1EGFRERBB2CA12CA1
SCHEMBL16375293 0.80 EGFR (0.66) EGFRERBB2CA12CA1CA2
SCHEMBL16367377 0.76 ALDH1A1 (0.39) L3MBTL1EGFRERBB2ALDH1A1MAPT
SCHEMBL15607849 0.76 TAAR1 (0.56) L3MBTL1EGFRERBB2ALDH1A1PSMD10
SCHEMBL16375297 0.74 MAPT (0.50) L3MBTL1HPGDALDH1A1MAPTLMNA
SCHEMBL16367378 0.73 MMP2 (0.36) EGFRERBB2CA1CA2STAT3
SCHEMBL16367365 0.72 MMP2 (0.36) EGFRERBB2STAT3ALDH1A1MAPT
SCHEMBL16367348 0.71 DHODH (0.34) EGFRERBB2STAT3ALDH1A1MAPT

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 1 patent. 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

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 L3MBTL1 2029/4885EGFR 1866/4885ERBB2 1218/4885

“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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