SCHEMBL5754301

SCHEMBL5754301

CC(C)(C)c1ccc(CC(NC(=O)c2cccc3c(Cl)cccc23)C(O)c2ccc(F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
THRB P10828 1/20 0.37
MT-CO2 P00403 1/20 0.37
BCHE P06276 2/20 0.37
BACE1 P56817 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGER4 P35408 1/20 0.36
P2RX7 Q99572 2/20 0.36
DGAT2 Q96PD7 2/20 0.36
NR1H4 Q96RI1 1/20 0.35
CNR1 P21554 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5751322 0.91 ITGB1 (0.41) ITGB1ITGA4MAPTPTGER4P2RX7
SCHEMBL5751172 0.90 BACE1 (0.38) BCHEBACE1MAPTRAB9APTGER4
SCHEMBL1897805 0.87 BACE1 (0.39) ITGB1ITGA4BCHEBACE1RAB9A
SCHEMBL5750588 0.87 MCHR1 (0.40) BCHEBACE1MAPTRAB9ANR1H4
SCHEMBL6579539 0.86 ITGB1 (0.35) ITGB1ITGA4THRBMT-CO2BCHE
SCHEMBL5753763 0.86 MCHR1 (0.40) ITGB1ITGA4PTGER4P2RX7DGAT2
SCHEMBL6579542 0.83 GCGR (0.35) ITGB1ITGA4THRBMT-CO2BCHE
SCHEMBL5750131 0.82 MCHR1 (0.43) MAPTPTGER4P2RX7
SCHEMBL5752094 0.82 P2RX7 (0.50) ITGB1ITGA4PTGER4P2RX7
SCHEMBL5752124 0.81 BACE1 (0.38) BCHEBACE1MAPTGAARAB9A

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 ITGB1 2158/4885ITGA4 2983/4885THRB 1265/4885

“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.