SCHEMBL5753355

SCHEMBL5753355

O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1c(CSc2ccccc2)ccc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
PIN1 Q13526 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR2 P34972 1/20 0.34
FPR2 P25090 1/20 0.34
PDE2A O00408 2/20 0.34
TRPV1 Q8NER1 2/20 0.33
TACR1 P25103 1/20 0.33
DRD4 P21917 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
CXCR2 P25025 1/20 0.33

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
SCHEMBL5786685 0.84 PDE2A (0.40) MAPTPIN1SMN1; SMN2CNR2FPR2
SCHEMBL5753953 0.83 PDE2A (0.40) PIN1ALDH1A1CNR2FPR2PDE2A
SCHEMBL5752476 0.80 CXCR5 (0.41) PPARGPPARALMNAMAPTALDH1A1
SCHEMBL5752263 0.80 DRD4 (0.48) LMNAMAPTPIN1ALDH1A1SMN1; SMN2
SCHEMBL5751220 0.80 DRD4 (0.48) LMNAMAPTPIN1ALDH1A1SMN1; SMN2
SCHEMBL5752315 0.78 CNR2 (0.45) LMNAALDH1A1CNR2FPR2TACR1
SCHEMBL5753159 0.77 DRD4 (0.39) PIN1CNR2PDE2ADRD4UTS2R
SCHEMBL5750842 0.76 KMT2A (0.50) LMNAMAPTPIN1ALDH1A1CNR2
SCHEMBL5750122 0.76 TRPV1 (0.49) CNR2TRPV1
SCHEMBL5753386 0.76 MCHR1 (0.40) CNR2FPR2PDE2ATACR1DRD4

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 2 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

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 PPARG 905/4885PPARA 708/4885LMNA 2989/4885

“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.