SCHEMBL6009449

SCHEMBL6009449

CC(C)(Cc1ccc(F)cc1)NCCC(F)(F)S(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.44
DPP4 P27487 3/20 0.41
KDM4E B2RXH2 1/20 0.38
ADRB1 P08588 4/20 0.36
ADRB2 P07550 1/20 0.36
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
HPGD P15428 1/20 0.35
DPP8 Q6V1X1 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
VNN1 O95497 1/20 0.33
SSTR3 P32745 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
GHSR Q92847 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
SCHEMBL6009956 0.89 HPGD (0.36) CASRDPP4ADRB1HPGDVNN1
SCHEMBL6009423 0.78 DPP4 (0.44) CASRDPP4KDM4EADRB1ADRB2
SCHEMBL5503686 0.74 CASR (0.48) CASRDPP4KDM4EADRB1ADRB2
SCHEMBL5504957 0.73
SCHEMBL5518076 0.71 DPP4 (0.45) CASRDPP4KDM4EADRB1ADRB2
SCHEMBL6010000 0.70 CASR (0.42) CASRDPP4KDM4EADRB1ADRB2
SCHEMBL6009982 0.69 DPP4 (0.44) CASRDPP4KDM4EADRB1ADRB2
SCHEMBL5500953 0.69 CASR (0.46) CASRDPP4KDM4EADRB1ADRB2
SCHEMBL7906601 0.67 KDM4E (0.50) CASRDPP4KDM4EMMP2MMP8
SCHEMBL5503937 0.67 HPGD (0.36) CASRDPP4HPGDTDP1GHSR

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 CASR 3333/4885DPP4 1442/4885KDM4E 4725/4885

“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.