SCHEMBL16776440

SCHEMBL16776440

CCCCc1ccc(NC(=O)N2CCCCCc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc1C1=CC=CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ FGFR4 P22455 6/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ RAF1 P04049 4/20 0.34
▸ BRAF P15056 4/20 0.34
▸ P2RX1 P51575 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ ACP1 P24666 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL16776439 0.88 CA2 (0.36) CA2CA9RAF1BRAFMAPT
SCHEMBL12654530 0.76 CA2 (0.44) CA2CA9FGFR4MAPK14BRAF
SCHEMBL12654516 0.74 P2RX1 (0.48) CA2CA9FGFR4P2RX1ALDH1A1
SCHEMBL16776442 0.74 CA2 (0.36) CA2CA9RAF1BRAF
SCHEMBL12654400 0.73 P2RX1 (0.46) CA2CA9FGFR4MAPK14BRAF
SCHEMBL12654660 0.73 FGFR4 (0.46) FGFR4
SCHEMBL1820744 0.72 FGFR4 (0.45) CA2CA9FGFR4P2RX1
SCHEMBL12654527 0.71 FGFR4 (0.56) CA2CA9FGFR4
SCHEMBL12654664 0.71 FGFR4 (0.42) CA2CA9FGFR4P2RX1
SCHEMBL12654639 0.71 FGFR4 (0.49) CA2CA9FGFR4P2RX1

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885FGFR4 1754/4885

“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.

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