SCHEMBL2470848

SCHEMBL2470848

COCc1onc(-c2ccccc2)c1C(=O)OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.66
ALDH1A1 P00352 6/20 0.48
LMNA P02545 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
PTBP1 P26599 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 2/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
GABRA5 P31644 2/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA3 P34903 1/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 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
SCHEMBL2470830 0.89 PTGS1 (0.54) PTGS1ALDH1A1LMNAPOLBTSHR
SCHEMBL2472140 0.87 PTGS1 (0.68) PTGS1ALDH1A1LMNAKDM4EHPGD
Hydrochloric Acid SCHEMBL2471767 0.87 PTGS1 (0.52) PTGS1ALDH1A1LMNAPOLBTSHR
SCHEMBL4971628 0.87 PTGS1 (0.52) PTGS1SMN1; SMN2POLBTSHRALOX15
SCHEMBL2473817 0.86 LMNA (0.66) PTGS1ALDH1A1LMNAKDM4EHPGD
SCHEMBL4721188 0.86 LMNA (0.51) PTGS1LMNATP53RAB9APOLB
SCHEMBL2471766 0.86 PTGS1 (0.51) PTGS1ALDH1A1LMNAPOLBTSHR
SCHEMBL2473649 0.84 PTGS1 (0.49) PTGS1RAB9APOLBTSHRALOX15
SCHEMBL6283143 0.82 ALDH1A1 (0.47) PTGS1ALDH1A1LMNAHPGDTP53
SCHEMBL13842368 0.82 HTT (0.50) PTGS1ALDH1A1LMNASMN1; SMN2POLB

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 PTGS1 2693/4885ALDH1A1 252/4885LMNA 4287/4885

“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.