SCHEMBL15544403

SCHEMBL15544403

Cc1ccc(S(=O)(=O)OCC(CO)n2cc(Cn3cncc3[N+](=O)[O-])nn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSMD10 O75832 1/20 0.39
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
NOTUM Q6P988 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL16343122 0.87
SCHEMBL15543885 0.87 PSMD10 (0.37) PSMD10NOTUMMMP2MMP9MMP8
SCHEMBL15545223 0.86 EGFR (0.44) EGFRERBB2ALDH1A1
SCHEMBL15544800 0.85 HPGD (0.32) MMP2MMP9MMP8MMP13
SCHEMBL15557382 0.82 ALDH1A1 (0.37) PSMD10MMP2MMP9MMP8MMP13
SCHEMBL16367337 0.80 GUSB (0.31)
SCHEMBL15545208 0.79 BCHE (0.38) PSMD10CYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL15544607 0.78 GUSB (0.31)
SCHEMBL16367342 0.78 GUSB (0.31)
SCHEMBL15544616 0.77 PSMD10 (0.35) PSMD10EGFRERBB2MMP2MMP9

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 5 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

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 PSMD10 4424/4885EGFR 1866/4885ERBB2 1218/4885

“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.