SCHEMBL5752422

SCHEMBL5752422

Cc1ccc(C(=O)NC(Cc2ccc(C(F)(F)F)cc2)C(=O)c2ccc(F)cc2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
CTSL P07711 1/20 0.41
CAPN1 P07384 1/20 0.41
USP30 Q70CQ3 5/20 0.41
KIFC1 Q9BW19 2/20 0.41
EPHX2 P34913 2/20 0.40
PPARG P37231 2/20 0.40
CDK2 P24941 1/20 0.40
CA2 P00918 1/20 0.40
PPARA Q07869 1/20 0.40
TACR1 P25103 1/20 0.39
FPR2 P25090 1/20 0.39

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
SCHEMBL6581050 0.88 NOS3 (0.45) NOS3NOS1NOS2CTSLUSP30
SCHEMBL5750715 0.86 MCHR1 (0.52) MCHR1NOS3NOS1NOS2CTSL
SCHEMBL5753014 0.83 NOS3 (0.44) NOS3NOS1NOS2CTSLUSP30
SCHEMBL5753315 0.83 CA2 (0.54) NOS3NOS1NOS2CTSLUSP30
SCHEMBL5751767 0.83 CA2 (0.54) NOS3NOS1NOS2CTSLUSP30
SCHEMBL5750631 0.82 MCHR1 (0.40) MCHR1NOS3NOS1NOS2CAPN1
SCHEMBL5751462 0.81 USP30 (0.53) NOS3NOS1NOS2CTSLUSP30
SCHEMBL5753044 0.81 MTTP (0.52) CAPN1USP30KIFC1CA2FPR2
SCHEMBL5753338 0.80 USP30 (0.49) NOS3NOS1NOS2CTSLUSP30
SCHEMBL5752217 0.80 ITGB1 (0.45) NOS3NOS1NOS2CTSLUSP30

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 MCHR1 1618/4885NOS3 2157/4885NOS1 1859/4885

“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.