SCHEMBL3293215

SCHEMBL3293215

CN1CCc2nc(OCc3ccc4c(c3)OCCN4C)c(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGES2 Q9H7Z7 1/20 0.41
▸ PTGDR2 Q9Y5Y4 4/20 0.40
▸ PRF1 P14222 1/20 0.39
▸ PIK3CA P42336 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.37
▸ MAPT P10636 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ EIF2AK3 Q9NZJ5 1/20 0.35
▸ MAP4K1 Q92918 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34

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
SCHEMBL3296668 0.89 TP53 (0.43) PTGES2PTGDR2TP53LMNAEIF2AK3
SCHEMBL3293594 0.87 TP53 (0.44) PTGES2TP53LMNASCN9AEIF2AK3
SCHEMBL3294587 0.86 TP53 (0.49) PTGES2TP53LMNASCN9AEIF2AK3
SCHEMBL3293480 0.86 PTGES2 (0.44) PTGES2PTGDR2PRF1PIK3CASLC22A12
SCHEMBL3294762 0.84 PTGDR2 (0.47) PTGES2PTGDR2POLBRXFP1LMNA
SCHEMBL3294821 0.84 KMT2A (0.43) PTGES2POLBLMNAEIF2AK3ALDH1A1
SCHEMBL3294540 0.83 PTGDR2 (0.46) PTGES2PTGDR2POLBRXFP1LMNA
SCHEMBL3293321 0.82 PTGDR2 (0.42) PTGES2PTGDR2PRF1PIK3CASLC22A12
SCHEMBL3295677 0.81 TP53 (0.47) PTGES2PIK3CATP53LMNA
SCHEMBL3292180 0.81 PTGDR2 (0.48) PTGES2PTGDR2POLBRXFP1SLC22A12

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 PTGES2 1314/4885PTGDR2 681/4885PRF1 1066/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 PTGES2 1314/4885PTGDR2 681/4885PRF1 1066/4885

“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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