SCHEMBL15544899

SCHEMBL15544899

CS(=O)(=O)OCC(CO)n1cc(Cc2ccc([N+](=O)[O-])cc2)nn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD4 P21917 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TGM2 P21980 1/20 0.35
POLB P06746 2/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL15543953 0.88 CYP19A1 (0.37) CYP19A1DRD4SIGMAR1TGM2SLC5A1
SCHEMBL15545208 0.88 BCHE (0.38) CYP19A1L3MBTL1DRD4SIGMAR1CA9
SCHEMBL15544471 0.85 CYP19A1 (0.40) CYP19A1L3MBTL1DRD4SIGMAR1TGM2
SCHEMBL15607911 0.84 CYP19A1 (0.40) CYP19A1DRD4SIGMAR1TGM2POLB
SCHEMBL16367372 0.84 DRD4 (0.42) CYP19A1DRD4SIGMAR1TGM2POLB
SCHEMBL16367420 0.82 DRD4 (0.42) CYP19A1DRD4SIGMAR1TGM2POLB
SCHEMBL15543609 0.82 DRD4 (0.42) CYP19A1DRD4SIGMAR1TGM2POLB
SCHEMBL15544163 0.77 CYP19A1 (0.32) CYP19A1KCNH2
SCHEMBL15545349 0.77 BCHE (0.36) CYP19A1DRD4SIGMAR1POLBMAPT
SCHEMBL16342941 0.77 ALDH1A1 (0.38) CYP19A1L3MBTL1

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 4 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
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

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 CYP19A1 442/4885L3MBTL1 2029/4885DRD4 3149/4885

“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.