SCHEMBL13157569

SCHEMBL13157569

COc1ccc(-n2nc(C3CCN(C(=O)N(C)O)CC3)cc2-c2ccc(CO)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.45
▸ PTGS2 P35354 2/20 0.45
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ MGLL Q99685 1/20 0.41
▸ KCNJ6 P48051 1/20 0.38
▸ KCNJ3 P48549 1/20 0.38
▸ CCKAR P32238 2/20 0.37
▸ RPA1 P27694 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 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
SCHEMBL3094330 0.89 PTGS2 (0.42) ALOX5PTGS2MGLLKCNJ6KCNJ3
SCHEMBL3100407 0.88 PTGS2 (0.50) ALOX5PTGS2MGLLKCNJ6KCNJ3
SCHEMBL13157627 0.87 PTGS2 (0.47) ALOX5PTGS2CA1CA2CA9
SCHEMBL13157644 0.86 PTGS2 (0.49) ALOX5PTGS2MGLLRPA1
SCHEMBL13157620 0.86 PTGS2 (0.49) ALOX5PTGS2MGLLRPA1
SCHEMBL3105667 0.85 MGLL (0.54) ALOX5PTGS2MGLLKCNJ6KCNJ3
SCHEMBL3104707 0.85 MGLL (0.54) ALOX5PTGS2MGLLKCNJ6KCNJ3
SCHEMBL3104741 0.85 CCKAR (0.47) ALOX5PTGS2CCKAR
SCHEMBL13157564 0.85 PTGS2 (0.43) ALOX5PTGS2CA1CA2CA9
SCHEMBL13157558 0.85 PTGS2 (0.43) ALOX5PTGS2CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — 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 (1 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 ALOX5 1105/4885PTGS2 567/4885CA1 3237/4885

“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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