SCHEMBL5148750

SCHEMBL5148750

C=C(C)c1cc(-c2ccc(OCCNS(C)(=O)=O)cc2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 3/20 0.45
CHRNA7 P36544 1/20 0.41
PTGS2 P35354 4/20 0.40
PTGS1 P23219 1/20 0.40
MDM2 Q00987 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2 P10415 2/20 0.39
RPA1 P27694 2/20 0.38
MARS1 P56192 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
DYRK3 O43781 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
CDK1 P06493 1/20 0.36
ROS1 P08922 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36

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
SCHEMBL5148769 0.88 MALT1 (0.41) MALT1CHRNA7PTGS2PTGS1CA1
SCHEMBL5148795 0.88 MALT1 (0.46) MALT1CHRNA7PTGS2PTGS1MDM2
SCHEMBL5148826 0.87 MDM2 (0.43) MALT1CHRNA7PTGS2PTGS1MDM2
SCHEMBL5148951 0.86 MALT1 (0.41) MALT1CHRNA7PTGS2PTGS1MDM2
SCHEMBL5150854 0.86 MALT1 (0.44) MALT1CHRNA7PTGS2PTGS1MDM2
SCHEMBL5148798 0.85 MALT1 (0.44) MALT1PTGS2PTGS1RPA1CA1
SCHEMBL5147863 0.85 PTGS2 (0.47) MALT1CHRNA7PTGS2PTGS1
SCHEMBL5152420 0.85 PTGS2 (0.42) MALT1PTGS2PTGS1MDM2MCL1
SCHEMBL5147787 0.85 PTGS2 (0.41) MALT1CHRNA7PTGS2PTGS1MDM2
Hydrochloric Acid SCHEMBL5152030 0.83 MDM2 (0.40) MALT1CHRNA7PTGS2PTGS1MDM2

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 4 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
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 1227/4885CHRNA7 1626/4885PTGS2 1780/4885

“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.