SCHEMBL16367408

SCHEMBL16367408

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
BCHE P06276 1/20 0.44
PKM P14618 2/20 0.43
KMT2A Q03164 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL16367402 0.89 ACHE (0.45) ACHEBCHEPKMKMT2AMMP1
SCHEMBL16367407 0.85 MAOB (0.39) KMT2AALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL8424432 0.83 DHODH (0.44) PKMKMT2AMMP1MMP2MMP9
SCHEMBL16367398 0.82 ACHE (0.49) ACHEBCHEPKMKMT2AMMP1
SCHEMBL10316917 0.81 ACHE (0.51) ACHEBCHEPKMKMT2AMAPT
SCHEMBL16367399 0.81 ACHE (0.48) ACHEBCHEPKMKMT2AMMP1
SCHEMBL15607951 0.79 ACHE (0.46) ACHEBCHEPKMKMT2AMMP1
SCHEMBL16367373 0.77 MAOB (0.44) KMT2AALDH1A1LMNACYP2C19SMN1; SMN2
SCHEMBL7155122 0.77 TDP1 (0.45) PKMKMT2AMMP1MMP9MMP13
SCHEMBL16367348 0.75 DHODH (0.34) PKMKMT2AMMP2MMP9MAPT

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.