SCHEMBL5751364

SCHEMBL5751364

CC(C)(C)c1cccc(CC(NC(=O)c2cccc3c(Cl)cccc23)C(O)c2cccc(Cl)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.41
BCHE P06276 4/20 0.41
CTSV O60911 4/20 0.41
CTSL P07711 4/20 0.41
CTSS P25774 4/20 0.41
CTSB P07858 2/20 0.41
PTGER4 P35408 2/20 0.36
PTGDR Q13258 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
CTSK P43235 1/20 0.36
P2RX1 P51575 1/20 0.35
CCR9 P51686 1/20 0.34
CTSD P07339 1/20 0.34
HTT P42858 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 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
SCHEMBL1897805 0.92 BACE1 (0.39) BACE1BCHECTSVCTSLCTSS
SCHEMBL5752893 0.89 BACE1 (0.42) BACE1BCHECTSVCTSLCTSS
SCHEMBL5755168 0.86 CTSV (0.37) CTSVCTSLCTSSCTSBPTGER4
SCHEMBL5751447 0.85 CTSV (0.36) CTSVCTSLCTSSCTSBPTGER4
SCHEMBL5750783 0.85 HTT (0.41) CTSVCTSLCTSSCTSBPTGER4
SCHEMBL5752027 0.85 FFAR2 (0.37) CTSVCTSLCTSSCTSBITGB1
SCHEMBL5754364 0.84 CNR1 (0.40) HTT
SCHEMBL5752124 0.83 BACE1 (0.38) BACE1BCHECTSVCTSLCTSS
SCHEMBL5753489 0.81 PTGER4 (0.37) BACE1CTSVCTSLCTSSCTSB
SCHEMBL5752397 0.81 SMO (0.35) BACE1CTSVCTSLCTSSCTSB

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 BACE1 835/4885BCHE 334/4885CTSV 4003/4885

“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.