SCHEMBL2426014

SCHEMBL2426014

CCC(C)Nc1cc(C(=O)O)c(C(F)(F)F)cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.43
AR P10275 7/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
HCAR3 P49019 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
PGR P06401 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
ASPH Q12797 1/20 0.34

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
SCHEMBL2425855 0.89 LMNA (0.38) TAS2R14ARIRAK4PGR
SCHEMBL2425857 0.89 LMNA (0.38) TAS2R14ARIRAK4PGR
SCHEMBL3141157 0.80 HCAR3 (0.37) TAS2R14HCAR3AKR1C3AKR1C2ASPH
SCHEMBL2427452 0.80 HCAR3 (0.37) TAS2R14HCAR3AKR1C3AKR1C2ASPH
SCHEMBL2421465 0.78 CFTR (0.37) TAS2R14ARPGR
SCHEMBL2430389 0.73 LMNA (0.43) HCAR3
SCHEMBL2430386 0.73 LMNA (0.43) HCAR3
SCHEMBL2427970 0.72 KDM4E (0.43)
SCHEMBL2427177 0.72 KDM4E (0.43)
SCHEMBL2429546 0.71 KDM4E (0.43)

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
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 TAS2R14 943/4885AR 361/4885IRAK4 4845/4885

“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.