SCHEMBL15545208

SCHEMBL15545208

Cc1ccc(S(=O)(=O)OCC(CO)n2cc(Cc3ccc([N+](=O)[O-])cc3)nn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
DRD4 P21917 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PSMD10 O75832 1/20 0.37
CYP19A1 P11511 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 2/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
THRB P10828 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
SCHEMBL15545349 0.89 BCHE (0.36) BCHEACHEMAPTALDH1A1DRD4
SCHEMBL15544899 0.88 CYP19A1 (0.39) MAPTDRD4SIGMAR1CYP19A1L3MBTL1
SCHEMBL15544471 0.84 CYP19A1 (0.40) MAPTDRD4SIGMAR1CYP19A1KMT2A
SCHEMBL15607911 0.81 CYP19A1 (0.40) MAPTALDH1A1DRD4SIGMAR1CYP19A1
SCHEMBL15557382 0.80 ALDH1A1 (0.37) MAPTALDH1A1PSMD10CYP19A1KMT2A
SCHEMBL16367372 0.80 DRD4 (0.42) MAPTALDH1A1DRD4SIGMAR1NPC1
SCHEMBL15543885 0.79 PSMD10 (0.37) ALDH1A1PSMD10CYP19A1L3MBTL1CYP3A4
SCHEMBL15545223 0.79 EGFR (0.44) ALDH1A1CA9LMNATHRBSMN1; SMN2
SCHEMBL15544403 0.79 PSMD10 (0.39) ALDH1A1PSMD10CYP3A4CYP2D6CYP2C9
SCHEMBL16367420 0.78 DRD4 (0.42) ALDH1A1DRD4SIGMAR1NPC1RAB9A

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 6 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
US-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 US disclosed
EP-2793871-A1 COMPOUNDS AND METHODS FOR SELECTIVE IMAGING AND/OR ABLATION Auckland Uniservices Limited (NZ) 2014-10-29 EP disclosed
WO-2014007650-A1 COMPOUNDS AND METHODS FOR SELECTIVE IMAGING AND/OR ABLATION AUCKLAND UNISERVICES LIMITED (NZ) 2014-01-09 WO disclosed
WO-2014007650-A1 COMPOUNDS AND METHODS FOR SELECTIVE IMAGING AND/OR ABLATION AUCKLAND UNISERVICES LIMITED (NZ) 2014-01-09 WO 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 BCHE 2576/4885ACHE 3736/4885MAPT 3982/4885

“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.