SCHEMBL2472233

SCHEMBL2472233

Cc1onc(-c2ccccc2)c1-c1cn(-c2ccccc2C(=O)O)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.47
PTGS1 P23219 4/20 0.47
MAPK14 Q16539 2/20 0.47
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MT-CO2 P00403 3/20 0.41
MAPT P10636 4/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK8 P45983 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
CA3 P07451 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL2474294 0.89 MAPK14 (0.48) PTGS2PTGS1MAPK14KMT2AGAA
SCHEMBL2468984 0.84 KDM5B (0.46) PTGS2PTGS1MAPK14GAAMT-CO2
SCHEMBL2473727 0.84 MAPK14 (0.48) MAPK14KMT2AMEN1GAAALDH1A1
SCHEMBL2469066 0.84 MAPK14 (0.48) MAPK14KMT2AMEN1GAAALDH1A1
SCHEMBL2473927 0.83 NPSR1 (0.50) MAPK14ALDH1A1NPSR1MAPK8GABRA5
SCHEMBL2471444 0.83 PTGS1 (0.50) PTGS2PTGS1MAPK14GAAMT-CO2
SCHEMBL2473755 0.83 PTGS2 (0.50) PTGS2PTGS1MAPK14KMT2AMT-CO2
SCHEMBL2471573 0.82 PTGS2 (0.47) PTGS2PTGS1MAPK14KMT2AMEN1
SCHEMBL2473837 0.82 GABRA5 (0.51) MAPK14TSHRALDH1A1SMN1; SMN2MAPK8
SCHEMBL2470757 0.81 PTGS2 (0.56) PTGS2PTGS1MAPK14KMT2AMT-CO2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
EP-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP disclosed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US disclosed
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 WO 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-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives GABRA5, GABRA4, GABRA1 PTGS2 3762/4885PTGS1 2693/4885MAPK14 4327/4885

“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.