SCHEMBL3291271

SCHEMBL3291271

O=S(=O)(Nc1ncccc1OCc1ccccc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 5/20 0.52
▸ AR P10275 7/20 0.51
▸ SLC40A1 Q9NP59 2/20 0.49
▸ MMP2 P08253 2/20 0.47
▸ MMP9 P14780 2/20 0.47
▸ MMP14 P50281 2/20 0.47
▸ ADAM17 P78536 2/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ PTGES2 Q9H7Z7 1/20 0.44
▸ CCR9 P51686 1/20 0.43

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
SCHEMBL20627703 0.87 PPIA (0.62) PPIAARSLC40A1
SCHEMBL3294918 0.86 AR (0.60) PPIAARSLC40A1
SCHEMBL20604465 0.86 SLC40A1 (0.62) PPIAARSLC40A1
SCHEMBL30882311 0.86 SLC40A1 (0.62) PPIAARSLC40A1
SCHEMBL20628168 0.83 AR (0.59) PPIAARSLC40A1
SCHEMBL20627704 0.80 PPIA (0.53) PPIAARSLC40A1
SCHEMBL20627707 0.80 PPIA (0.61) PPIAARSLC40A1
SCHEMBL26530287 0.78 TSHR (0.64) SLC40A1PTGDR2CCR9
SCHEMBL20852525 0.78 PPIA (0.53) PPIAARSLC40A1
SCHEMBL20627706 0.78 PTGDR2 (0.63) PPIASLC40A1PTGDR2

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-20100266539-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-21 — — US disclosed
US-7732442-B2 Chemokine receptor antagonist and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 — — US disclosed
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 — — US disclosed
EP-1661889-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 — — EP 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 (2 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-20100266539-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF CCR5, CCR4, CCR1 PPIA 4601/4885AR 243/4885SLC40A1 2070/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 PPIA 4601/4885AR 243/4885SLC40A1 2070/4885

“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.

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