SCHEMBL13157620

SCHEMBL13157620

CCOc1ccc(-n2nc(C3CCN(C(=O)N(C)O)CC3)cc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ BCL2 P10415 2/20 0.46
▸ MDM2 Q00987 2/20 0.46
▸ MCL1 Q07820 2/20 0.46
▸ MGLL Q99685 1/20 0.46
▸ CACNA1B Q00975 1/20 0.44
▸ FABP3 P05413 1/20 0.42
▸ FABP4 P15090 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ RPA1 P27694 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
SCHEMBL13157644 1.00 PTGS2 (0.49) PTGS2ALOX5BCL2MDM2MCL1
SCHEMBL3100407 0.93 PTGS2 (0.50) PTGS2ALOX5MGLLRPA1
SCHEMBL13157627 0.92 PTGS2 (0.47) PTGS2ALOX5MGLLFABP3FABP4
SCHEMBL13157641 0.91 MGLL (0.47) PTGS2ALOX5MGLLCHRNA7RPA1
SCHEMBL13157604 0.91 MGLL (0.47) PTGS2ALOX5MGLLCHRNA7RPA1
SCHEMBL3104707 0.90 MGLL (0.54) PTGS2ALOX5MGLLRPA1
SCHEMBL3104741 0.90 CCKAR (0.47) PTGS2ALOX5
SCHEMBL3105667 0.90 MGLL (0.54) PTGS2ALOX5MGLLRPA1
SCHEMBL13157631 0.89 PTGS2 (0.48) PTGS2ALOX5MGLLRPA1
SCHEMBL13157600 0.89 PTGS2 (0.58) PTGS2ALOX5

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 567/4885ALOX5 1105/4885BCL2 4362/4885

“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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