SCHEMBL5147907

SCHEMBL5147907

COc1ccc(-n2nc(C(C)C)cc2-c2ccc(O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.56
PTGS1 P23219 6/20 0.56
RPA1 P27694 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
HIF1A Q16665 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MALT1 Q9UDY8 1/20 0.48
ESR2 Q92731 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MGLL Q99685 1/20 0.47
CCKAR P32238 4/20 0.47

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
SCHEMBL14504331 0.90 PTGS2 (0.69) PTGS2PTGS1RPA1CYP1A2CYP3A4
SCHEMBL6211396 0.86 PTGS2 (0.56) PTGS2PTGS1RPA1CYP1A2CYP3A4
SCHEMBL5148895 0.83 PTGS2 (0.57) PTGS2PTGS1RPA1CYP1A2CYP3A4
SCHEMBL5148570 0.83 PTGS2 (0.51) PTGS2PTGS1RPA1CYP1A2CYP3A4
SCHEMBL5148696 0.82 PTGS2 (0.56) PTGS2PTGS1RPA1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5149044 0.82 PTGS2 (0.55) PTGS2PTGS1RPA1CYP1A2CYP3A4
SCHEMBL12177088 0.82 CCKAR (0.55) PTGS2PTGS1CCKAR
SCHEMBL13352179 0.82 CCKAR (0.55) PTGS2PTGS1CCKAR
SCHEMBL5148809 0.81 PTGS2 (0.54) PTGS2PTGS1RPA1CYP1A2CYP3A4
SCHEMBL12177087 0.81 PTGS2 (0.61) PTGS2PTGS1CYP1A2CYP3A4CYP2C9

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 PTGS2 1780/4885PTGS1 1105/4885RPA1 2143/4885

“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.