SCHEMBL2465585

SCHEMBL2465585

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.46
NPC1 O15118 4/20 0.46
SLC6A5 Q9Y345 3/20 0.45
CYP24A1 Q07973 2/20 0.44
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HTR1E P28566 1/20 0.42
KMT2A Q03164 1/20 0.42
S1PR3 Q99500 1/20 0.42
CYP2D6 P10635 2/20 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
SCHEMBL2468838 0.88 GPR139 (0.48) SLC6A9NPC1SLC6A5CYP24A1RAB9A
SCHEMBL2464573 0.85 NPC1 (0.50) SLC6A9NPC1SLC6A5CYP24A1RAB9A
SCHEMBL14243987 0.84 SLC6A9 (0.48) SLC6A9NPC1SLC6A5CYP24A1RAB9A
SCHEMBL2466812 0.82 SLC6A9 (0.47) SLC6A9NPC1SLC6A5CYP24A1RAB9A
SCHEMBL2466802 0.82 ALDH1A1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL2464965 0.82 ADRB2 (0.43) SLC6A9NPC1SLC6A5RAB9AALDH1A1
SCHEMBL2468948 0.82 ALDH1A1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL2464590 0.81 NPC1 (0.48) SLC6A9NPC1SLC6A5CYP24A1RAB9A
SCHEMBL14243769 0.80 SLC6A9 (0.44) SLC6A9NPC1RAB9AALDH1A1GAA
SCHEMBL2465537 0.79 NPC1 (0.51) SLC6A9NPC1SLC6A5CYP24A1RAB9A

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 6 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
CN-103140510-B Halogenated amide esters and internal electron donors comprising same DOW GLOBAL TECHNOLOGIES LLC 2015-06-24 CN 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.