SCHEMBL5751771

SCHEMBL5751771

O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1cccc2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 3/20 0.47
PSMB5 P28074 3/20 0.43
UGCG Q16739 2/20 0.41
PTGER4 P35408 4/20 0.41
HDAC11 Q96DB2 2/20 0.40
CTSL P07711 1/20 0.39
FABP4 P15090 2/20 0.38
BACE1 P56817 2/20 0.38
BACE2 Q9Y5Z0 2/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL5751394 0.99 CXCR5 (0.46) CXCR5PSMB5UGCGPTGER4HDAC11
SCHEMBL1898861 0.90 CXCR5 (0.47) CXCR5PSMB5UGCGPTGER4HDAC11
SCHEMBL1900140 0.88 CXCR5 (0.45) CXCR5PSMB5UGCGPTGER4HDAC11
SCHEMBL1900536 0.88 PSMB5 (0.48) CXCR5PSMB5UGCGPTGER4CTSL
SCHEMBL5747861 0.87 BACE1 (0.37) PSMB5UGCGPTGER4BACE1BACE2
SCHEMBL1900082 0.86 PTGER4 (0.38) CXCR5UGCGPTGER4HDAC11BACE1
SCHEMBL5754024 0.84 SSTR4 (0.41) UGCGPTGER4HDAC11BACE1BACE2
SCHEMBL5753364 0.83 BACE1 (0.37) CXCR5UGCGPTGER4BACE1BACE2
SCHEMBL5753540 0.83 TRPV1 (0.41) UGCG
SCHEMBL1899579 0.82 CTSL (0.40) CXCR5PSMB5UGCGCTSLBACE1

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 CXCR5 4765/4885PSMB5 2181/4885UGCG 740/4885

“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.