SCHEMBL14059362

SCHEMBL14059362

COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)c2cc(Br)ccc2CCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A3 Q01959 8/20 0.35
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 1/20 0.34
PDK2 Q15119 1/20 0.34
ALPL P05186 1/20 0.34
HSD17B3 P37058 1/20 0.33
CCKBR P32239 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
DRD2 P14416 1/20 0.32
HTR1D P28221 1/20 0.32
DRD3 P35462 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL14059112 0.90 TDP1 (0.39) TDP1L3MBTL1GAAMAPTSMN1; SMN2
SCHEMBL14059545 0.84 ALDH1A1 (0.33) TDP1SLC6A3SLC6A2SLC6A4PDK2
SCHEMBL14059904 0.81 APP (0.33) ALPLGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL16996612 0.78 KDM4E (0.43) L3MBTL1SLC6A3SLC6A2SLC6A4DRD2
SCHEMBL14960673 0.76 SLC6A3 (0.40) TDP1L3MBTL1SLC6A3SLC6A2ALDH1A1
SCHEMBL14059228 0.76 SLC6A3 (0.40) TDP1L3MBTL1SLC6A3SLC6A2HSD17B3
SCHEMBL12365792 0.75 MAPK14 (0.43) PDK2DRD2DRD3GAAALDH1A1
SCHEMBL502662 0.73 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4
SCHEMBL14059129 0.73 DHODH (0.33)
SCHEMBL12389789 0.72 MAPK14 (0.45) PDK2DRD2DRD3GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604024-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-10 US disclosed
US-20130131051-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-05-23 US disclosed
WO-2012162330-A1 TRICYCLIC COMPOUNDS AS INHIBITORS FOR THE PRODUCTION OF BETA-AMYLOID BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 WO disclosed
WO-2012162330-A1 TRICYCLIC COMPOUNDS AS INHIBITORS FOR THE PRODUCTION OF BETA-AMYLOID BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 WO 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-20130131051-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, SCN2B TDP1 3953/4885L3MBTL1 1061/4885SLC6A3 1973/4885

“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.