SCHEMBL6008648

SCHEMBL6008648

O=S(=O)(O)CCCNC1(C(O)c2ccc(F)cc2)CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
CAPN1 P07384 1/20 0.32
SLC6A2 P23975 3/20 0.32
HTR6 P50406 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SCN5A Q14524 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MMP1 P03956 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL6008692 0.99 MEN1 (0.33) HSD11B1MEN1KMT2AALDH1A1PKM
SCHEMBL354787 0.88 KMT2A (0.33) MEN1KMT2ASLC6A2SMN1; SMN2SLC6A4
SCHEMBL27686863 0.86 GRIN2D (0.32)
SCHEMBL10277848 0.84 MME (0.32) CAPN1SLC6A2SLC6A4SLC6A3MMP1
SCHEMBL10278489 0.82 MME (0.32) MEN1KMT2AALDH1A1PKMMMP1
SCHEMBL6009455 0.79 SLC6A2 (0.42) MEN1KMT2ASLC6A2SMN1; SMN2SLC6A4
SCHEMBL10232157 0.78 FBP1 (0.34) KMT2AALDH1A1
SCHEMBL6008679 0.78 SLC6A2 (0.40) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL354580 0.75 SLC6A2 (0.41) ALDH1A1SLC6A2SLC6A4
SCHEMBL10277812 0.75 ADRB2 (0.36) HSD11B1MEN1KMT2AALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2006-08-17 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-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases APP, PSEN1, TTR HSD11B1 1054/4885MEN1 553/4885KMT2A 3737/4885

“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.