SCHEMBL105247

SCHEMBL105247

CC=Cc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)CBr)C[C@@H]1C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
RORC P51449 7/20 0.35
ADAMTS5 Q9UNA0 4/20 0.33
CFD P00746 1/20 0.33
GRM5 P41594 1/20 0.33
CHRM2 P08172 4/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
SMO Q99835 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
SCHEMBL106650 1.00 PDK1 (0.38) PDK1PDK2PDK3PDK4RORC
SCHEMBL106649 1.00 PDK1 (0.38) PDK1PDK2PDK3PDK4RORC
SCHEMBL103414 0.88 GRM5 (0.41) RORCGRM5
SCHEMBL3592710 0.88 GRM5 (0.41) RORCGRM5
SCHEMBL103872 0.88 SMARCA2 (0.43) PDK1PDK2PDK3PDK4RORC
SCHEMBL103873 0.88 SMARCA2 (0.43) PDK1PDK2PDK3PDK4RORC
SCHEMBL103871 0.88 SMARCA2 (0.43) PDK1PDK2PDK3PDK4RORC
SCHEMBL102740 0.88 PDK1 (0.35) PDK1PDK2PDK3PDK4RORC
SCHEMBL102741 0.88 PDK1 (0.35) PDK1PDK2PDK3PDK4RORC
SCHEMBL3608772 0.88 CCR1 (0.33) ADAMTS5CFD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 PDK1 3459/4885PDK2 2979/4885PDK3 3455/4885

“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.