SCHEMBL5114431

SCHEMBL5114431

CN(Cc1ccc(C#N)cc1F)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.48
FFAR4 Q5NUL3 9/20 0.48
NSD2 O96028 1/20 0.47
RIPK1 Q13546 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
CYP19A1 P11511 2/20 0.41
MAP2K1 Q02750 1/20 0.38
TSPO P30536 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL5110282 0.82 HTT (0.50) FFAR1NSD2ALDH1A1CYP19A1
SCHEMBL5779411 0.79 NSD2 (0.41) NSD2MAP2K1
SCHEMBL1953084 0.77 PYCR1 (0.54) RIPK1KDM4EALDH1A1
SCHEMBL29810587 0.76 FFAR1 (0.53) FFAR1FFAR4TSPODRD3
SCHEMBL5315954 0.76 FFAR1 (0.53) FFAR1FFAR4TSPODRD3
SCHEMBL5118098 0.76 NSD2 (0.63) NSD2
SCHEMBL1642300 0.76 FFAR1 (0.48) FFAR1FFAR4
SCHEMBL32669543 0.75 FFAR1 (0.37) FFAR1FFAR4NSD2RIPK1ALDH1A1
SCHEMBL27001694 0.74 FFAR1 (0.44) FFAR1FFAR4PSEN1PSEN2APH1B
SCHEMBL5846315 0.74 FFAR1 (0.41) FFAR1FFAR4RIPK1PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 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-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 FFAR1 390/4885FFAR4 622/4885NSD2 2965/4885

“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.