SCHEMBL3294195

SCHEMBL3294195

CN1CCOc2cc(COc3cncnc3NS(=O)(=O)c3ccccc3C(F)(F)F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 10/20 0.47
▸ PTGES2 Q9H7Z7 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ SLC22A12 Q96S37 2/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KAT7 O95251 1/20 0.37
▸ KAT6A Q92794 1/20 0.37

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
SCHEMBL3294510 0.89 PTGDR2 (0.47) PTGDR2PTGES2PDE10ASLC22A12SCN9A
SCHEMBL3298267 0.88 TP53 (0.43) PTGDR2PTGES2PDE10ASCN9AALDH1A1
SCHEMBL3294748 0.85 CCR4 (0.46) PTGES2PDE10A
SCHEMBL3293922 0.85 PTGDR2 (0.47) PTGDR2PTGES2SLC22A12
SCHEMBL3297058 0.85 TP53 (0.49) PTGES2PDE10ASCN9A
SCHEMBL3292180 0.84 PTGDR2 (0.48) PTGDR2PTGES2SLC22A12
SCHEMBL3294762 0.82 PTGDR2 (0.47) PTGDR2PTGES2SCN9AALDH1A1HTT
SCHEMBL3292248 0.82 KMT2A (0.45) PTGES2PDE10ASCN9AALDH1A1HTT
SCHEMBL3294540 0.82 PTGDR2 (0.46) PTGDR2PTGES2SCN9AALDH1A1HTT
SCHEMBL3293321 0.80 PTGDR2 (0.42) PTGDR2PTGES2PDE10ASLC22A12SCN9A

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 1314/4885PDE10A 1665/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 PTGDR2 681/4885PTGES2 1314/4885PDE10A 1665/4885

“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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