SCHEMBL5751502

SCHEMBL5751502

O=C(NC(Cc1ccc(C(F)F)cc1)C(O)c1ccc(F)cc1)c1ccc(F)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CXCR5 P32302 1/20 0.38
MCHR1 Q99705 1/20 0.37
MAPK10 P53779 1/20 0.36
DGAT2 Q96PD7 1/20 0.35
PSMB5 P28074 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR2 P34972 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
BACE1 P56817 2/20 0.34
BACE2 Q9Y5Z0 2/20 0.34
PYGL P06737 1/20 0.34
SCN9A Q15858 1/20 0.34
UGCG Q16739 1/20 0.34

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
SCHEMBL7122508 0.96 ALDH1A1 (0.41) ALDH1A1CXCR5MCHR1MAPK10DGAT2
SCHEMBL5751803 0.91 MEN1 (0.38) ALDH1A1CXCR5MCHR1DGAT2PSMB5
SCHEMBL5750602 0.89 MCHR1 (0.49) ALDH1A1CXCR5MCHR1CNR2UGCG
SCHEMBL1900075 0.89 MCHR1 (0.49) ALDH1A1CXCR5MCHR1CNR2UGCG
SCHEMBL5750997 0.89 MCHR1 (0.49) ALDH1A1CXCR5MCHR1CNR2UGCG
SCHEMBL1900073 0.89 MCHR1 (0.49) ALDH1A1CXCR5MCHR1CNR2UGCG
SCHEMBL5753193 0.88 EPHX2 (0.40) ALDH1A1CXCR5CNR2
SCHEMBL5749845 0.88 GAA (0.44) ALDH1A1CYP1A2CYP2C19KMT2ABACE1
SCHEMBL5750588 0.88 MCHR1 (0.40) ALDH1A1CXCR5MCHR1PSMB5KMT2A
SCHEMBL5751640 0.88 MAPK10 (0.42) MAPK10CNR2

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 ALDH1A1 783/4885CXCR5 4765/4885MCHR1 1618/4885

“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.