SCHEMBL6919113

SCHEMBL6919113

Cc1ccc(S(=O)(=O)O)c(CCCc2ccc(OCc3ccccc3)cc2OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.53
PTGER4 P35408 4/20 0.53
PTGER3 P43115 4/20 0.53
PTGER2 P43116 4/20 0.53
MAOB P27338 2/20 0.42
MGLL Q99685 1/20 0.41
AR P10275 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
FFAR1 O14842 1/20 0.40
TNF P01375 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
TSHR P16473 1/20 0.39
TSPO P30536 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
SCHEMBL31357767 0.81 PTGER1 (0.48) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL3653914 0.79 PTGER1 (0.45) PTGER1PTGER4PTGER3PTGER2
SCHEMBL28366425 0.78 PTGER1 (0.44) PTGER1PTGER4PTGER3PTGER2
SCHEMBL6919116 0.77 AR (0.47) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL29172711 0.77 L3MBTL1 (0.45) PTGER1PTGER4PTGER3PTGER2MGLL
SCHEMBL27145050 0.77 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2
Water SCHEMBL2340363 0.77 MRGPRX4 (0.50) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL23210272 0.77 PTGER1 (0.45) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL31357736 0.77 PTGER1 (0.47) PTGER1PTGER4PTGER3PTGER2MGLL
SCHEMBL31357663 0.77 PTGER1 (0.47) PTGER1PTGER4PTGER3PTGER2MGLL

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 PTGER1 2061/4885PTGER4 1206/4885PTGER3 2271/4885

“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.