SCHEMBL3293922

SCHEMBL3293922

Cc1cnc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(OCc2ccc3c(c2)OCCN3C)n1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 12/20 0.47
▸ PTGES2 Q9H7Z7 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.40
▸ CCR4 P51679 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
SCHEMBL3292180 0.90 PTGDR2 (0.48) PTGDR2PTGES2SLC22A12
SCHEMBL3294762 0.89 PTGDR2 (0.47) PTGDR2PTGES2
SCHEMBL3293684 0.88 CCR4 (0.47) PTGDR2PTGES2CCR4
SCHEMBL3294540 0.88 PTGDR2 (0.46) PTGDR2PTGES2
SCHEMBL3294510 0.85 PTGDR2 (0.47) PTGDR2PTGES2SLC22A12
SCHEMBL3294177 0.85 CCR4 (0.56) CCR4
SCHEMBL3294195 0.85 PTGDR2 (0.47) PTGDR2PTGES2SLC22A12
SCHEMBL3293480 0.84 PTGES2 (0.44) PTGDR2PTGES2SLC22A12
SCHEMBL3294541 0.83 CCR4 (0.46) PTGES2CCR4
SCHEMBL3293321 0.82 PTGDR2 (0.42) PTGDR2PTGES2SLC22A12

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 PTGDR2 681/4885PTGES2 1314/4885SLC22A12 852/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 PTGDR2 681/4885PTGES2 1314/4885SLC22A12 852/4885

“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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