SCHEMBL13158115

SCHEMBL13158115

COc1ccc(-n2nc(C3CCN(C(=O)N(O)C(C)C)CC3)cc2-c2cccc(OC)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.46
▸ FAAH O00519 2/20 0.46
▸ CCKAR P32238 2/20 0.44
▸ RPA1 P27694 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MGLL Q99685 1/20 0.42
▸ KCNJ6 P48051 2/20 0.42
▸ KCNJ3 P48549 2/20 0.42
▸ SLC16A3 O15427 2/20 0.41
▸ SLC16A1 P53985 2/20 0.41
▸ MCTS1 Q9ULC4 2/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ KCNJ5 P48544 1/20 0.41

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
SCHEMBL13157968 0.93 RPA1 (0.53) PTGS2FAAHCCKARRPA1MGLL
SCHEMBL13158120 0.92 RPA1 (0.45) PTGS2CCKARRPA1MGLLKCNJ6
SCHEMBL13157726 0.92 PTGS2 (0.48) PTGS2RPA1MGLLALOX5PTGS1
SCHEMBL13158111 0.91 FAAH (0.47) PTGS2FAAHCCKARRPA1CA1
SCHEMBL13157981 0.89 KCNJ6 (0.49) PTGS2FAAHCCKARRPA1MGLL
SCHEMBL13157986 0.88 CCKAR (0.48) CCKAR
SCHEMBL13157959 0.88 CCKAR (0.48) CCKAR
SCHEMBL13157976 0.87 PTGS2 (0.55) PTGS2CCKARALOX5PTGS1
SCHEMBL13157991 0.87 PTGS2 (0.55) PTGS2CCKARALOX5PTGS1
SCHEMBL13158107 0.85 KCNJ6 (0.43) PTGS2CCKARRPA1CA1CA2

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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
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 PTGS2 567/4885FAAH 1533/4885CCKAR 1528/4885

“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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