SCHEMBL2423686

SCHEMBL2423686

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 6/20 0.40
MAPT P10636 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
NOTUM Q6P988 2/20 0.35
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
MAPK10 P53779 5/20 0.33
MAPK8 P45983 2/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2423689 1.00 CFTR (0.40) CFTRMAPTKDM4EALDH1A1LMNA
SCHEMBL2427839 0.91 KDM4E (0.38) KDM4EALDH1A1HSP90AA1HSP90AB1MAPK10
SCHEMBL2429459 0.89 CFTR (0.41) CFTRMAPTKDM4EALDH1A1LMNA
SCHEMBL3141157 0.89 HCAR3 (0.37) KDM4EALDH1A1HSP90AA1HSP90AB1MAPK10
SCHEMBL2427452 0.89 HCAR3 (0.37) KDM4EALDH1A1HSP90AA1HSP90AB1MAPK10
SCHEMBL2426951 0.82 HSP90AA1 (0.44) MAPTKDM4EALDH1A1LMNAHSP90AA1
SCHEMBL2426953 0.82 HSP90AA1 (0.44) MAPTKDM4EALDH1A1LMNAHSP90AA1
SCHEMBL2425857 0.81 LMNA (0.38) CFTRMAPTKDM4EALDH1A1LMNA
SCHEMBL2425855 0.81 LMNA (0.38) CFTRMAPTKDM4EALDH1A1LMNA
SCHEMBL2421470 0.79 POLB (0.39) HSP90AA1HSP90AB1MAPK10MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910168-B Tropane compounds EXELIXIS INC 2014-07-30 CN disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
CN-101910168-A Tropane compounds EXELIXIS INC 2010-12-08 CN 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 CFTR 1476/4885MAPT 586/4885KDM4E 4402/4885

“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.