SCHEMBL2465220

SCHEMBL2465220

CCC(OC(=O)c1ccc(F)cc1)C(CNC(=O)c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.54
NPC1 O15118 4/20 0.48
SLC6A5 Q9Y345 3/20 0.47
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
KCNA3 P22001 1/20 0.44
CYP24A1 Q07973 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HTR1E P28566 1/20 0.43
KMT2A Q03164 1/20 0.43
S1PR3 Q99500 1/20 0.43
CYP2D6 P10635 2/20 0.43
KLK7 P49862 1/20 0.42

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
SCHEMBL2464084 0.88 NPC1 (0.49) SLC6A9NPC1SLC6A5RAB9ASMN1; SMN2
SCHEMBL2466993 0.88 GPR139 (0.50) SLC6A9NPC1SLC6A5RAB9ASMN1; SMN2
SCHEMBL2467907 0.85 NPC1 (0.53) SLC6A9NPC1SLC6A5RAB9ASMN1; SMN2
SCHEMBL14243987 0.84 SLC6A9 (0.48) SLC6A9NPC1SLC6A5RAB9ASMN1; SMN2
SCHEMBL2465537 0.83 NPC1 (0.51) SLC6A9NPC1SLC6A5RAB9ASMN1; SMN2
SCHEMBL2466812 0.82 SLC6A9 (0.47) SLC6A9NPC1SLC6A5RAB9ASMN1; SMN2
SCHEMBL2465651 0.80 HPGD (0.46) SLC6A9NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14243769 0.79 SLC6A9 (0.44) SLC6A9NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2465224 0.79 EPHX2 (0.49) SLC6A9NPC1SLC6A5RAB9ASMN1; SMN2
SCHEMBL2467417 0.78 HPGD (0.47) SLC6A9NPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539378-B1 HALOGENATED AMIDE ESTER AND INTERNAL ELECTRON DONOR WITH SAME GRACE W R & CO (US) 2018-06-06 EP disclosed
US-8466081-B2 Halogenated amide ester and internal electron donor with same DOW GLOBAL TECHNOLOGIES LLC (US) 2013-06-18 US disclosed
EP-2539378-A1 HALOGENATED AMIDE ESTER AND INTERNAL ELECTRON DONOR WITH SAME Dow Global Technologies LLC (US) 2013-01-02 EP disclosed
US-20120322964-A1 Halogenated Amide Ester and Internal Electron Donor with Same DOW GLOBAL TECHNOLOGIES LLC (US) 2012-12-20 US disclosed
WO-2011106497-A1 HALOGENATED AMIDE ESTER AND INTERNAL ELECTRON DONOR WITH SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2011-09-01 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-20120322964-A1 Halogenated Amide Ester and Internal Electron Donor with Same NAT10, NAT1, NAA50 SLC6A9 963/4885NPC1 299/4885SLC6A5 763/4885

“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.