SCHEMBL4949996

SCHEMBL4949996

COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(I)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.57
SLC6A3 Q01959 4/20 0.44
SLC6A4 P31645 3/20 0.44
PTPN1 P18031 2/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.43
NTRK1 P04629 1/20 0.43
KDM4E B2RXH2 2/20 0.41
CYP2C19 P33261 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
SOS1 Q07889 1/20 0.40
BACE1 P56817 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC6A2 P23975 1/20 0.40
CES2 O00748 2/20 0.40

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
SCHEMBL23354519 0.91 CFTR (0.63) CFTRSLC6A3SLC6A4PTPN1PTGDR2
SCHEMBL4945678 0.86 CFTR (0.60) CFTRSLC6A3SLC6A4PTGDR2NTRK1
SCHEMBL6698582 0.82 CFTR (0.55) CFTRSLC6A3SLC6A4PTPN1KDM4E
SCHEMBL23354287 0.82 SLC6A3 (0.56) CFTRSLC6A3SLC6A4PTPN1NTRK1
SCHEMBL2138612 0.82 CFTR (0.55) CFTRSLC6A3SLC6A4PTPN1KDM4E
SCHEMBL31676817 0.82 CFTR (0.52) CFTRSLC6A3SLC6A4PTPN1PTGDR2
SCHEMBL23354005 0.82 CFTR (0.52) CFTRSLC6A3SLC6A4PTPN1PTGDR2
SCHEMBL27086514 0.82 CFTR (0.52) CFTRSLC6A3PTPN1KDM4EALDH1A1
SCHEMBL6701426 0.81 KDM4E (0.58) CFTRSLC6A3SLC6A4PTPN1PTGDR2
SCHEMBL23354056 0.80 CFTR (0.52) CFTRSLC6A3SLC6A4PTPN1PTGDR2

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-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 EP disclosed
US-7393868-B2 AMPA receptor potentiators ELI LILLY AND COMPANY (US) 2008-07-01 US disclosed
EP-1893597-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2008-03-05 EP disclosed
US-20070142441-A1 AMPA receptor potentiators ELI LILLY AND COMPANY 2007-06-21 US disclosed
WO-2006132811-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2006-12-14 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-20070142441-A1 AMPA receptor potentiators GABRE, GRIN1, GRIK2 CFTR 924/4885SLC6A3 606/4885SLC6A4 859/4885

“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.