SCHEMBL16367402

SCHEMBL16367402

CC(=O)OC(COS(=O)(=O)c1ccc(C)cc1)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
BCHE P06276 1/20 0.45
PKM P14618 2/20 0.44
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40

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
SCHEMBL16367408 0.89 ACHE (0.44) ACHEBCHEPKMKMT2AMAPT
SCHEMBL16367370 0.84 PTGS2 (0.42) KMT2AALDH1A1LMNACYP1A2CYP2C19
SCHEMBL16367398 0.83 ACHE (0.49) ACHEBCHEPKMKMT2AMAPT
SCHEMBL10316917 0.83 ACHE (0.51) ACHEBCHEPKMKMT2AMAPT
SCHEMBL8423991 0.83 STAT3 (0.44) PKMKMT2AHSD17B10ALDH1A1LMNA
SCHEMBL16367399 0.82 ACHE (0.48) ACHEBCHEPKMKMT2AMAPT
SCHEMBL15607951 0.81 ACHE (0.46) ACHEBCHEPKMKMT2AMAPT
SCHEMBL5473718 0.79 STAT3 (0.41) PKMKMT2AALDH1A1LMNA
SCHEMBL5473721 0.79 STAT3 (0.41) PKMKMT2AALDH1A1LMNA
SCHEMBL5473716 0.79 STAT3 (0.41) PKMKMT2AALDH1A1LMNA

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.