SCHEMBL5753992

SCHEMBL5753992

O=C(Nc1ccccc1)c1ccc(C(O)C(Cc2cccc(OC(F)(F)C(F)F)c2)NC(=O)c2cccc3c2C=CCCC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.38
TNF P01375 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
LMNA P02545 1/20 0.35
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR3C1 P04150 1/20 0.33
BRAF P15056 2/20 0.33
UGCG Q16739 1/20 0.33
EPHX2 P34913 1/20 0.33
MAPK14 Q16539 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL5752919 0.93 PTGER4 (0.38) NAMPTCTSDBACE1BACE2UGCG
SCHEMBL5749812 0.92 NAMPT (0.42) NAMPTLMNACTSDBACE1BACE2
SCHEMBL5755944 0.92 PTGER4 (0.34) NAMPTLMNACTSDBACE1BACE2
SCHEMBL5753971 0.92 CETP (0.36) NAMPTCTSDBACE1BACE2UGCG
SCHEMBL1899668 0.92 CETP (0.38) UGCGMAPK14CETP
SCHEMBL5749781 0.91 CETP (0.33) NAMPTLMNACTSDBACE1BACE2
SCHEMBL5751175 0.90 BACE1 (0.34) NAMPTLMNACTSDBACE1BACE2
SCHEMBL5751530 0.90 CETP (0.35) BACE1BACE2UGCGEPHX2CETP
SCHEMBL5752659 0.90 CETP (0.35) NAMPTCTSDBACE1BACE2UGCG
SCHEMBL5752767 0.90 CETP (0.35) BACE1BACE2UGCGEPHX2CETP

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 NAMPT 2791/4885TNF 4647/4885NOD2 4465/4885

“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.