SCHEMBL5152228

SCHEMBL5152228

COc1ccc(-n2nc(OC3CCCC3)cc2-c2ccc(OCCNC(=O)O)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
ACACB O00763 2/20 0.39
CACNB4 O00305 6/20 0.38
CACNA1A O00555 6/20 0.38
CACNA1G O43497 6/20 0.38
CACNG3 O60359 6/20 0.38
CACNA1F O60840 6/20 0.38
CACNA1H O95180 6/20 0.38
CACNB3 P54284 6/20 0.38
CACNA2D1 P54289 6/20 0.38
CACNG7 P62955 6/20 0.38
CACNA1B Q00975 6/20 0.38
CACNA1D Q01668 6/20 0.38
CACNB1 Q02641 6/20 0.38
CACNG1 Q06432 6/20 0.38
CACNB2 Q08289 6/20 0.38
CACNA1S Q13698 6/20 0.38

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
SCHEMBL5148944 0.90 FABP4 (0.43) FABP3FABP4MEN1KMT2AFFAR4
SCHEMBL5147735 0.87 CACNB4 (0.39) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL5148724 0.86 BCL2 (0.45) FABP3FABP4MEN1KMT2APIK3CA
SCHEMBL5148898 0.85 FABP4 (0.41) CACNA1BFABP3FABP4FFAR4FAAH
SCHEMBL5151982 0.84 MDM2 (0.41) FABP3FABP4PIK3CAPIK3CG
Hydrochloric Acid SCHEMBL5150749 0.84 CACNB4 (0.39) PDE4DCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL5171475 0.83 RPA1 (0.42) FABP3FABP4FFAR4PIK3CAPIK3CG
SCHEMBL5148760 0.83 FABP3 (0.39) FABP3FABP4PIK3CAPIK3CG
SCHEMBL5148783 0.83 PTGS2 (0.41) CACNA1GCACNA1HFABP3FABP4PIK3CA
SCHEMBL5148880 0.83 MDM2 (0.41) FABP3FABP4PIK3CAPIK3CG

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 3 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

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 PDE4A 3389/4885PDE4B 2995/4885PDE4C 4426/4885

“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.