SCHEMBL16367398

SCHEMBL16367398

Cc1ccc(S(=O)(=O)OCC(O)Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.49
BCHE P06276 1/20 0.49
PKM P14618 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CA9 Q16790 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL16367399 0.89 ACHE (0.48) ACHEBCHEPKMHSD17B10MAPT
SCHEMBL10316917 0.87 ACHE (0.51) ACHEBCHEPKMHSD17B10MAPT
SCHEMBL15607951 0.87 ACHE (0.46) ACHEBCHEPKMHSD17B10MAPT
SCHEMBL16367402 0.83 ACHE (0.45) ACHEBCHEPKMHSD17B10MAPT
SCHEMBL16367382 0.83 POLB (0.48) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL7933300 0.83 GAA (0.49) ACHEBCHEALDH1A1POLBKMT2A
SCHEMBL21378598 0.83 GAA (0.49) ACHEBCHEALDH1A1POLBKMT2A
SCHEMBL7925816 0.83 GAA (0.49) ACHEBCHEALDH1A1POLBKMT2A
SCHEMBL2545254 0.82 ALDH1A1 (0.49) ACHEBCHEPKMHSD17B10MAPT
SCHEMBL16367408 0.82 ACHE (0.44) ACHEBCHEPKMHSD17B10MAPT

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 ACHE 3736/4885BCHE 2576/4885PKM 867/4885

“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.