SCHEMBL104268

SCHEMBL104268

C/C=C\c1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.40
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK3 Q15120 2/20 0.38
PDK4 Q16654 2/20 0.38
RORC P51449 6/20 0.35
TACR1 P25103 5/20 0.33
HDAC1 Q13547 1/20 0.33
CASP1 P29466 1/20 0.32
PARP1 P09874 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
SCHEMBL104269 1.00 GPR119 (0.40) GPR119PDK1PDK2PDK3PDK4
SCHEMBL103873 0.88 SMARCA2 (0.43) GPR119PDK1PDK2PDK3PDK4
SCHEMBL103871 0.88 SMARCA2 (0.43) GPR119PDK1PDK2PDK3PDK4
SCHEMBL103872 0.88 SMARCA2 (0.43) GPR119PDK1PDK2PDK3PDK4
SCHEMBL102740 0.88 PDK1 (0.35) PDK1PDK2PDK3PDK4RORC
SCHEMBL102741 0.88 PDK1 (0.35) PDK1PDK2PDK3PDK4RORC
SCHEMBL106246 0.87 GPR119 (0.42) GPR119PDK1PDK2PDK3PDK4
SCHEMBL103956 0.87 GPR119 (0.42) GPR119PDK1PDK2PDK3PDK4
SCHEMBL103607 0.85 GPR119 (0.42) GPR119PDK1PDK2PDK3PDK4
SCHEMBL168097 0.83 SLC2A1 (0.44) GPR119PDK2RORCTACR1

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 GPR119 16/4885PDK1 3459/4885PDK2 2979/4885

“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.