SCHEMBL5148904

SCHEMBL5148904

C=C(C)c1cc(-c2ccc(OCCNC(=O)OC(C)(C)C)cc2)n(-c2ccc(OC)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.48
RPA1 P27694 5/20 0.48
MARS1 P56192 1/20 0.45
CHRNA7 P36544 1/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
MDM2 Q00987 3/20 0.43
MCL1 Q07820 3/20 0.43
BCL2 P10415 2/20 0.43
PTGS2 P35354 3/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PTGS1 P23219 1/20 0.42
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
BCHE P06276 1/20 0.41
CNR2 P34972 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
SCHEMBL14504739 0.91 RPA1 (0.60) MALT1RPA1MARS1CHRNA7CA12
SCHEMBL5152209 0.91 CA12 (0.41) MALT1RPA1MARS1CHRNA7CA12
SCHEMBL14504993 0.90 MALT1 (0.48) MALT1RPA1MARS1CHRNA7CA12
SCHEMBL14608131 0.89 MALT1 (0.52) MALT1RPA1CHRNA7CA12CA1
SCHEMBL14505053 0.89 MALT1 (0.47) MALT1RPA1MARS1CHRNA7CA12
SCHEMBL5147727 0.88 RPA1 (0.54) MALT1RPA1MARS1CHRNA7MDM2
SCHEMBL5152086 0.88 FAAH (0.51) MALT1RPA1CHRNA7CA12CA1
SCHEMBL5150633 0.87 MALT1 (0.48) MALT1RPA1MARS1CA12CA1
SCHEMBL14504659 0.87 MALT1 (0.46) MALT1RPA1MARS1CHRNA7CA12
SCHEMBL14505054 0.87 MALT1 (0.46) MALT1RPA1MARS1CHRNA7CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567503-B1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS ASTELLAS PHARMA INC (JP) 2011-12-21 EP disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
EP-1567503-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
WO-2004050632-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 WO disclosed
US-20040116475-A1 Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 MALT1 1227/4885RPA1 2143/4885MARS1 680/4885

“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.