SCHEMBL5751322

SCHEMBL5751322

O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1cccc2c(Cl)cccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
P2RX7 Q99572 6/20 0.40
DRD4 P21917 1/20 0.39
CNR2 P34972 1/20 0.38
PTGER4 P35408 2/20 0.37
PTGDR Q13258 1/20 0.37
PSMB5 P28074 1/20 0.37
MAPT P10636 1/20 0.37
MCHR1 Q99705 2/20 0.37
DGAT2 Q96PD7 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL5753763 0.94 MCHR1 (0.40) ITGB1ITGA4P2RX7DRD4CNR2
SCHEMBL5754301 0.91 ITGB1 (0.38) ITGB1ITGA4P2RX7PTGER4MAPT
SCHEMBL5750131 0.90 MCHR1 (0.43) P2RX7DRD4CNR2PTGER4PTGDR
SCHEMBL5752094 0.90 P2RX7 (0.50) ITGB1ITGA4P2RX7CNR2PTGER4
SCHEMBL5752263 0.88 DRD4 (0.48) DRD4CNR2PTGER4PTGDRMAPT
SCHEMBL5751220 0.88 DRD4 (0.48) DRD4CNR2PTGER4PTGDRMAPT
SCHEMBL5750997 0.86 MCHR1 (0.49) DRD4CNR2MCHR1NOS3NOS1
SCHEMBL1900073 0.86 MCHR1 (0.49) DRD4CNR2MCHR1NOS3NOS1
SCHEMBL1900075 0.86 MCHR1 (0.49) DRD4CNR2MCHR1NOS3NOS1
SCHEMBL5749986 0.86 MCHR1 (0.41) CNR2PTGER4MCHR1NOS3NOS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680431-A1 BENZOTHIAZOLE AND THIAZOLE'5,5-B!PYRIDINE COMPOSITIONS AND THEIR USE AS UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-07-19 EP disclosed
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
WO-2005037845-A1 BENZOTHIAZOLE AND THIAZOLE[5,5-B] PYRIDINE COMPOSITIONS AND THEIR USE AS UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-04-28 WO 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 2983/4885P2RX7 4828/4885

“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.