SCHEMBL5751287

SCHEMBL5751287

N#Cc1ccc(CC(C(=O)O)C(O)c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.47
NSD2 O96028 2/20 0.44
FPR1 P21462 5/20 0.42
FPR2 P25090 5/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
FFAR1 O14842 1/20 0.41
SLC1A2 P43004 1/20 0.41
KCNH2 Q12809 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CACNA1F O60840 1/20 0.41
HTR1A P08908 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
HRH2 P25021 1/20 0.41
ADRA1D P25100 1/20 0.41

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
SCHEMBL5752733 0.89 KMT2A (0.48) SLC1A2KMT2AHTR2ACYP2C9
SCHEMBL5751742 0.83 KMT2A (0.44) SLC1A2KMT2AHTR2ACYP2C9
SCHEMBL5753155 0.82 KMT2A (0.49) KMT2AHTR2ACYP2C9
SCHEMBL5751624 0.80 PPARG (0.44) EPHX2KMT2A
SCHEMBL5749682 0.80 PPARG (0.44) EPHX2KMT2A
SCHEMBL5751018 0.79 MAOA (0.44) EPHX2NSD2FPR1FPR2MAOA
SCHEMBL8411267 0.79 NSD2 (0.49) EPHX2NSD2FPR1FPR2MAOA
SCHEMBL5750274 0.78 KMT2A (0.43) KMT2AHTR2ACYP2C9
SCHEMBL5749180 0.78 LDHA (0.55) FFAR1KMT2ACYP2C9CYP2C19
SCHEMBL5749920 0.77 KMT2A (0.43) KMT2AHTR2ACYP2C9

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
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP EPHX2 1434/4885NSD2 1283/4885FPR1 1214/4885

“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.