SCHEMBL7257802

SCHEMBL7257802

CCc1nc2cc(C(F)(F)F)c(Cl)cc2n1-c1ccc(CCOC(=O)NS(=O)(=O)c2ccccn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 11/20 0.39
AGTR1 P30556 4/20 0.39
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL30115000 0.90 AGTR2 (0.38) AGTR2AGTR1
SCHEMBL21470296 0.90 AGTR2 (0.38) AGTR2AGTR1
SCHEMBL2351543 0.89 AGTR2 (0.43) AGTR2AGTR1
SCHEMBL30114895 0.89 AGTR2 (0.43) AGTR2AGTR1
SCHEMBL6713139 0.87 PTGER4 (0.40) AGTR2AGTR1
SCHEMBL2356746 0.86 PTGER4 (0.48) AGTR2AGTR1
SCHEMBL1626050 0.86 AGTR2 (0.39) AGTR2AGTR1
SCHEMBL21470061 0.83 MCL1 (0.38) AGTR2AGTR1
SCHEMBL30114814 0.83 MCL1 (0.38) AGTR2AGTR1
SCHEMBL2351917 0.82 HRH3 (0.38) AGTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases SHIMOJO MASATO 2003-12-25 US disclosed
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PFIZER PHARMACEUTICALS INC. (JP) 2002-06-20 US 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-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PTGER4, PTGER1, IL6 AGTR2 911/4885AGTR1 827/4885CTSB 2036/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 AGTR2 274/4885AGTR1 264/4885CTSB 1487/4885

“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.