SCHEMBL2425855

SCHEMBL2425855

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CFTR P13569 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
AR P10275 7/20 0.36
PGR P06401 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 3/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
HSD17B10 Q99714 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
SCHEMBL2425857 1.00 LMNA (0.38) LMNACFTRTAS2R14ARPGR
SCHEMBL2421465 0.89 CFTR (0.37) LMNACFTRTAS2R14ARPGR
SCHEMBL2426014 0.89 TAS2R14 (0.43) TAS2R14ARPGRIRAK4
SCHEMBL2430386 0.83 LMNA (0.43) LMNAGAAKDM4EMAPTRXFP1
SCHEMBL2430389 0.83 LMNA (0.43) LMNAGAAKDM4EMAPTRXFP1
SCHEMBL2423686 0.81 CFTR (0.40) LMNACFTRKDM4EMAPTALDH1A1
SCHEMBL2423689 0.81 CFTR (0.40) LMNACFTRKDM4EMAPTALDH1A1
SCHEMBL2426249 0.77 CFTR (0.52) LMNACFTRARGAAKDM4E
SCHEMBL23930401 0.75 CFTR (0.56) LMNACFTRGAAKDM4EMAPT
SCHEMBL2428349 0.75 CFTR (0.56) LMNACFTRTAS2R14ARPGR

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 LMNA 486/4885CFTR 1476/4885TAS2R14 943/4885

“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.