SCHEMBL6919116

SCHEMBL6919116

Cc1ccc(S(=O)(=O)OCCCc2ccc(OCc3ccccc3)cc2OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.47
PIR O00625 1/20 0.44
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
MGLL Q99685 1/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41

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
SCHEMBL10537261 0.86 AR (0.47) ARPIRPTGER1PTGER4PTGER3
SCHEMBL7371569 0.84 AR (0.56) ARPIRMGLLCA12CA1
SCHEMBL9117894 0.82 HTR1A (0.52) ARPIRPTGER1PTGER4PTGER3
SCHEMBL31662455 0.81 SCN9A (0.45) ARPIRMGLLCA12CA1
SCHEMBL7402194 0.80 MGLL (0.56) ARPIRMGLLCA12CA1
SCHEMBL10983891 0.79 AR (0.58) ARPIRMGLLCA12CA1
SCHEMBL10460127 0.79 PTGER1 (0.42) ARPTGER1PTGER4PTGER3PTGER2
SCHEMBL9837799 0.78 SLC2A1 (0.42) ARPIRPTGER1PTGER4PTGER3
SCHEMBL6919113 0.77 PTGER1 (0.53) ARPTGER1PTGER4PTGER3PTGER2
SCHEMBL7028389 0.77 CNR2 (0.50) CA12CA1CA9CA2LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132789-A1 Antioxidant and radical scavenging activity of synthetic analogs of desferrithiocin UNIVERSITY OF FLORIDA 2004-07-08 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-20040132789-A1 Antioxidant and radical scavenging activity of synthetic analogs of desferrithiocin TXNRD2, SOD1, PRDX3 AR 3752/4885PIR 284/4885PTGER1 2061/4885

“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.