SCHEMBL14287352

SCHEMBL14287352

CCCN1C(=O)/C(=N/NC(=O)Nc2ccc(C(F)(F)F)cc2Cl)c2cc(SCCCc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.40
NLRP3 Q96P20 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
KDR P35968 1/20 0.33
CA9 Q16790 1/20 0.33
PPARD Q03181 2/20 0.33
ACHE P22303 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
CFTR P13569 1/20 0.32
TP53 P04637 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
MAPT P10636 1/20 0.32
MCL1 Q07820 1/20 0.31
BCL2A1 Q16548 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL14287348 0.97 PLK1 (0.37) PLK1NLRP3CA12CA1CA2
SCHEMBL14287359 0.95 PLK1 (0.43) PLK1PPARDPTGER4
SCHEMBL5113607 0.90 PARK7 (0.40) NLRP3CA12CA1CA2CA9
SCHEMBL5113604 0.90 PARK7 (0.40) NLRP3CA12CA1CA2CA9
SCHEMBL14287345 0.90 ALDH1A1 (0.37) PLK1CA12CA1CA2KDR
SCHEMBL5114073 0.90 ALDH1A1 (0.37) PLK1CA12CA1CA2KDR
SCHEMBL5114070 0.90 ALDH1A1 (0.37) PLK1CA12CA1CA2KDR
SCHEMBL5110753 0.88 CCKBR (0.42) PLK1NLRP3MAPT
SCHEMBL5110756 0.88 CCKBR (0.42) PLK1NLRP3MAPT
SCHEMBL5123438 0.85 MRGPRX4 (0.36) CA2CA9ACHETP53MRGPRX4

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-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 US disclosed
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 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-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA PLK1 2258/4885NLRP3 893/4885CA12 4873/4885

“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.