SCHEMBL5650095

SCHEMBL5650095

FC(F)(F)c1ccc(-c2cccc(Br)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.46
KIF11 P52732 2/20 0.45
TRPV3 Q8NET8 8/20 0.45
GFER P55789 1/20 0.42
TOP1 P11387 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
ENPP1 P22413 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL4451357 0.84 CTSS (0.46) TRPV3GABRA1GABRG2GABRB3GABRA3
SCHEMBL3564206 0.83 KDM4E (0.47) TOP1GABRA1GABRG2GABRB3GABRA3
SCHEMBL3560816 0.83 RAD51 (0.45) TRPV3TOP1GABRA1GABRG2GABRB3
SCHEMBL4787 0.82 CTSS (0.60)
SCHEMBL28345610 0.81 KIF11 (0.65) SCN9AKIF11TRPV3TOP1
SCHEMBL30755399 0.79 TRPV3 (0.47) SCN9AKIF11TRPV3TOP1
SCHEMBL22337449 0.79 NOTUM (0.47) SCN9AKIF11TRPV3GABRA1GABRG2
SCHEMBL8612884 0.79 SCN9A (0.47) SCN9AKIF11TRPV3TOP1
SCHEMBL3560374 0.79 PTPN1 (0.39) KIF11TRPV3TOP1
SCHEMBL15571062 0.79 ALDH1A1 (0.43) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100349856-C Propionic acid derivatives and their use as hPPAR activators SMITHKLINE BEECHAM CORP (US) 2007-11-21 CN disclosed
US-7199239-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-7199239-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-7199239-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-20060074111-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-04-06 US disclosed
CN-1675168-A Propionic acid derivatives and their use as hPPARs activators SMITHKLINE BEECHAM CORP (US) 2005-09-28 CN disclosed
EP-1513795-A2 PROPIONIC ACID DERIVATIVES AND THEIR USE AS HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
WO-2004000762-A2 PROPIONIC ACID DERIVATIVES AND THEIR USE AS HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 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-20060074111-A1 Chemical compounds HDAC3, HAT1, H1-3 SCN9A 939/4885KIF11 2312/4885TRPV3 694/4885

“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.