SCHEMBL6278136

SCHEMBL6278136

COc1ccc(-c2nc(C(=O)CC(C)C)oc2-c2ccc(OCCNS(C)(=O)=O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PPARD Q03181 5/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
SMPD1 P17405 1/20 0.37
DYRK3 O43781 1/20 0.37

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
SCHEMBL6208406 0.87 PPARD (0.41) ALDH1A1MAPTNPC1LMNATP53
SCHEMBL6252437 0.87 MTNR1A (0.42) ALDH1A1MAPTNPC1LMNATP53
SCHEMBL6540424 0.85 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL6538966 0.84 PPARD (0.39) ALDH1A1MAPTNPC1LMNATP53
SCHEMBL6539106 0.82 ALDH1A1 (0.44) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL6255678 0.82 HPGD (0.43) ALDH1A1MAPTNPC1LMNATP53
SCHEMBL6539757 0.82 PPARD (0.43) ALDH1A1MAPTNPC1LMNATP53
SCHEMBL6540419 0.81 ALDH1A1 (0.44) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL6539519 0.80 PPARD (0.47) ALDH1A1NPC1LMNAHTTPPARD
SCHEMBL6540181 0.79 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 ALDH1A1 163/4885MAPT 4796/4885NPC1 1686/4885

“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.