SCHEMBL8428009

SCHEMBL8428009

CCc1ccc(OCCN2CCOCC2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
KDM4E B2RXH2 3/20 0.54
TSHR P16473 2/20 0.50
POLB P06746 1/20 0.50
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SYK P43405 1/20 0.47
KDR P35968 1/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL13849557 0.94 KDM4E (0.64) LTA4HKDM4ETSHRNPC1SMN1; SMN2
SCHEMBL14393407 0.90 LTA4H (0.53) LTA4HKDM4ETSHRPOLBDRD1
SCHEMBL10263757 0.88 LTA4H (0.70) LTA4HKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5567309 0.87 LTA4H (0.55) LTA4HKDM4ETSHRPOLBDRD1
SCHEMBL8427935 0.86 LTA4H (0.57) LTA4HKDM4ESMN1; SMN2MEN1HPGD
SCHEMBL8245742 0.86 LTA4H (0.52) LTA4HKDM4ETSHRPOLBDRD1
SCHEMBL13766288 0.85 POLB (0.58) LTA4HKDM4ETSHRPOLBDRD1
SCHEMBL10272591 0.84 LTA4H (0.57) LTA4HKDM4ETSHRPOLBMEN1
SCHEMBL13855801 0.84 POLB (0.59) KDM4ETSHRPOLBNPC1SMN1; SMN2
SCHEMBL13849614 0.81 LTA4H (0.61) LTA4HKDM4EDRD1DRD4DRD5

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-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 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-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 LTA4H 2827/4885KDM4E 4714/4885TSHR 3476/4885

“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.