SCHEMBL5753129

SCHEMBL5753129

O=S(=O)(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 4/20 0.43
RORA P35398 1/20 0.41
RORC P51449 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
F2 P00734 2/20 0.41
USP30 Q70CQ3 2/20 0.39
SLC6A4 P31645 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR2 P34972 2/20 0.38
F10 P00742 2/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL5750196 0.82 L3MBTL1 (0.51) USP30MAPTGAAMAPK1HTT
SCHEMBL5751220 0.79 DRD4 (0.48) MAPTGAAMAPK1HTTSMN1; SMN2
SCHEMBL5752263 0.79 DRD4 (0.48) MAPTGAAMAPK1HTTSMN1; SMN2
SCHEMBL5751738 0.79 KMT2A (0.41) SLC6A4MAPTGAAMAPK1HTT
SCHEMBL5750122 0.78 TRPV1 (0.49) CNR2MEN1KMT2A
SCHEMBL5750842 0.78 KMT2A (0.50) MAPTHTTCNR2MEN1LMNA
SCHEMBL5753953 0.75 PDE2A (0.40) CNR2
SCHEMBL5753159 0.74 DRD4 (0.39) CNR2
SCHEMBL5786685 0.74 PDE2A (0.40) SLC6A4MAPTGAAMAPK1HTT
SCHEMBL5750142 0.73 DRD4 (0.40) CNR2

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 NSD2 1283/4885RORA 931/4885RORC 1359/4885

“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.