SCHEMBL5752580

SCHEMBL5752580

N#Cc1ccc(CC2C(c3ccc(F)cc3)OC(=O)N2C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 7/20 0.44
MDM2 Q00987 1/20 0.38
NSD2 O96028 2/20 0.38
RORC P51449 1/20 0.37
CCR3 P51677 1/20 0.37
HTR7 P34969 1/20 0.36
NR3C2 P08235 3/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5751613 0.83 KCNN4 (0.39) MDM2CCR3
SCHEMBL5752015 0.72 KCNN4 (0.34) FADS1
SCHEMBL5752174 0.72 CES2 (0.37) RORC
SCHEMBL5750810 0.72 KCNN4 (0.33) FADS1MDM2
SCHEMBL5752903 0.72 KCNN4 (0.35) FADS1MDM2NR3C2
SCHEMBL5750832 0.71 MAOA (0.42) FADS1MDM2HTR7
SCHEMBL5751187 0.70 EGLN2 (0.35) FADS1MAPT
SCHEMBL6579476 0.70 KCNN4 (0.40) RORC
SCHEMBL5752464 0.68 KCNN4 (0.33)
SCHEMBL5752417 0.67 KCNN4 (0.33)

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 FADS1 245/4885MDM2 3868/4885NSD2 1283/4885

“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.