SCHEMBL7520809

SCHEMBL7520809

Cc1ccccc1C(c1ccccc1)S(=O)(=O)c1nc2c(s1)CCc1c(OCC(=O)O)cccc1-2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 15/20 0.38
PTGDR Q13258 1/20 0.33
CTSA P10619 1/20 0.33
FFAR1 O14842 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL7520084 0.91 PTGIR (0.42) PTGIRPTGDRNPC1RAB9AKDM4E
SCHEMBL7523296 0.90 PTGIR (0.38) PTGIRPTGDRCTSA
SCHEMBL7525454 0.90 PTGIR (0.38) PTGIRPTGDR
SCHEMBL7521207 0.90 PTGIR (0.39) PTGIRPTGDRCTSANPC1RAB9A
SCHEMBL7523788 0.88 PTGIR (0.40) PTGIRPTGDRFFAR1
SCHEMBL7527902 0.87 PTGIR (0.39) PTGIRPTGDR
SCHEMBL7528910 0.86 PTGIR (0.39) PTGIRPTGDR
SCHEMBL7581984 0.85 PTGIR (0.36) PTGIRPTGDRCTSAFFAR1KDM4E
SCHEMBL7521984 0.85 PTGDR2 (0.40) PTGIRPTGDR
SCHEMBL7518867 0.85 PTGIR (0.40) PTGIRPTGDRCTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR PTGIR 11/4885PTGDR 3/4885CTSA 3256/4885

“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.