SCHEMBL14504874

SCHEMBL14504874

COc1ccc(-n2nc(C3CC3)cc2-c2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 3/20 0.52
▸ FABP4 P15090 3/20 0.52
▸ RPA1 P27694 2/20 0.51
▸ KCNJ6 P48051 2/20 0.50
▸ KCNJ3 P48549 2/20 0.50
▸ MGLL Q99685 1/20 0.47
▸ CCKAR P32238 5/20 0.47
▸ RXRA P19793 1/20 0.47
▸ RXRB P28702 1/20 0.47
▸ RXRG P48443 1/20 0.47
▸ KCNJ5 P48544 1/20 0.46
▸ MALT1 Q9UDY8 1/20 0.46
▸ BCL2 P10415 1/20 0.46
▸ MDM2 Q00987 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ MARS1 P56192 1/20 0.45
▸ CHRNA7 P36544 1/20 0.45
▸ CA1 P00915 1/20 0.45

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
SCHEMBL14504928 0.87 PTGS2 (0.47) FABP3FABP4RPA1KCNJ6KCNJ3
SCHEMBL14504449 0.84 MGLL (0.52) RPA1KCNJ6KCNJ3MGLLKCNJ5
SCHEMBL14504805 0.83 PTGS2 (0.46) FABP3FABP4RPA1KCNJ6KCNJ3
SCHEMBL5152488 0.83 FABP3 (0.45) FABP3FABP4RPA1KCNJ6KCNJ3
SCHEMBL14505146 0.83 RPA1 (0.56) FABP3FABP4RPA1CCKARRXRA
SCHEMBL14504781 0.83 PTGS2 (0.46) FABP3FABP4RPA1KCNJ6KCNJ3
SCHEMBL14504441 0.81 PTGS2 (0.46) RPA1KCNJ6KCNJ3MGLLCCKAR
SCHEMBL13352411 0.80 CCKAR (0.48) RPA1KCNJ6KCNJ3CCKARPTGS1
SCHEMBL14504573 0.80 PTGS2 (0.46) FABP3FABP4KCNJ6KCNJ3MALT1
SCHEMBL13157644 0.80 PTGS2 (0.49) FABP3FABP4RPA1MGLLBCL2

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
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 — — US 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-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 FABP3 3873/4885FABP4 3914/4885RPA1 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.

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