SCHEMBL3298722

SCHEMBL3298722

CN1CCC(COc2cc(COc3nc4c(cc3NS(=O)(=O)c3ccccc3C(F)(F)F)CN(C)CC4)ccc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.38
PRF1 P14222 1/20 0.36
PIK3CA P42336 2/20 0.36
PIK3R1 P27986 1/20 0.36
KDR P35968 2/20 0.35
PTGDR2 Q9Y5Y4 5/20 0.35
MAP4K1 Q92918 1/20 0.35
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL3292041 0.92 ALDH1A1 (0.37) PIK3CAPIK3R1PTGDR2MAP4K1
SCHEMBL3291985 0.89 CCR4 (0.39) PIK3CAPIK3R1
SCHEMBL3300382 0.89 PIK3R1 (0.37) PIK3CAPIK3R1
SCHEMBL3294350 0.88 UTS2R (0.39) SLC22A12PRF1PIK3CAPTGDR2MAPT
SCHEMBL3291021 0.88 SLC22A12 (0.39) SLC22A12PRF1PIK3CAPIK3R1KDR
SCHEMBL3293545 0.87 PTGDR2 (0.40) KDRPTGDR2POLBRXFP1
SCHEMBL3294790 0.86 PTGDR2 (0.40) KDRPTGDR2POLBRXFP1
SCHEMBL3296059 0.85 DRD2 (0.38) PIK3CAPIK3R1
SCHEMBL3299627 0.85 PIK3CA (0.38) SLC22A12PRF1PIK3CAPIK3R1KDR
SCHEMBL3294849 0.84 RXFP1 (0.46) SLC22A12KDRPTGDR2RXFP1

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 SLC22A12 852/4885PRF1 1066/4885PIK3CA 1933/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 SLC22A12 852/4885PRF1 1066/4885PIK3CA 1933/4885

“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.