SCHEMBL5148989

SCHEMBL5148989

NC(=O)NCCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.54
PDPK1 O15530 3/20 0.51
PTGS2 P35354 7/20 0.50
PTGS1 P23219 4/20 0.50
NR3C2 P08235 1/20 0.50
BCL2 P10415 1/20 0.50
MCL1 Q07820 1/20 0.50
CYP2C9 P11712 1/20 0.48
MAPT P10636 1/20 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
SCHEMBL5148812 0.90 PTGS2 (0.54) PTGS2PTGS1NR3C2CYP2C9
SCHEMBL14504540 0.87 HDAC3 (0.58) PDPK1PTGS2PTGS1CYP2C9
SCHEMBL5150503 0.87 PTGS2 (0.65) PTGS2PTGS1CYP2C9
SCHEMBL14504539 0.87 PTGS2 (0.60) PDPK1PTGS2PTGS1CYP2C9
SCHEMBL5147861 0.87 PTGS2 (0.65) PTGS2PTGS1CYP2C9
SCHEMBL5147835 0.86 PTGS2 (0.55) PTGS2PTGS1CYP2C9
SCHEMBL5150500 0.85 PTGS2 (0.60) PTGS2PTGS1CYP2C9
SCHEMBL5150862 0.85 PTGS2 (0.58) PTGS2PTGS1CYP2C9
Hydrochloric Acid SCHEMBL5147821 0.84 PDPK1 (0.54) MDM2PDPK1PTGS2PTGS1BCL2
SCHEMBL5150893 0.83 PTGS2 (0.54) PTGS2PTGS1CYP2C9

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 MDM2 1492/4885PDPK1 2205/4885PTGS2 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.