SCHEMBL5751663

SCHEMBL5751663

CC(C)(C)c1cccc(CC(NC(=O)c2cccc3c2C=CCCC3)C(O)c2cccc(Cl)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.39
BACE1 P56817 8/20 0.37
BCHE P06276 3/20 0.37
PTGER4 P35408 3/20 0.34
HRH1 P35367 1/20 0.33
CTSD P07339 5/20 0.32
CTSV O60911 4/20 0.32
CTSS P25774 4/20 0.32
CTSK P43235 1/20 0.32
CTSB P07858 1/20 0.31
P2RX1 P51575 1/20 0.31

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
SCHEMBL5752534 0.93 CTSL (0.38) CTSLBACE1BCHEPTGER4CTSV
SCHEMBL5752652 0.88 CTSL (0.38) CTSLBACE1PTGER4CTSDCTSV
SCHEMBL5750071 0.87 CTSL (0.37) CTSLPTGER4
SCHEMBL5752403 0.87 CTSL (0.36) CTSLPTGER4
SCHEMBL5751398 0.86 CNR1 (0.37) CTSL
SCHEMBL5753753 0.84 PTGER4 (0.36) CTSLBACE1PTGER4CTSD
SCHEMBL5748991 0.84 UGCG (0.36) CTSLPTGER4
SCHEMBL5752438 0.83 CTSL (0.36) CTSLBACE1PTGER4CTSVCTSS
SCHEMBL5752146 0.82 CTSL (0.37) CTSLBACE1PTGER4CTSVCTSS
SCHEMBL5751536 0.80 PTGER4 (0.38) BACE1BCHEPTGER4CTSD

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 CTSL 2240/4885BACE1 835/4885BCHE 334/4885

“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.