SCHEMBL104475

SCHEMBL104475

CCCc1cc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)ncc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.42
HTT P42858 1/20 0.40
CKS1B P61024 2/20 0.40
SKP1 P63208 2/20 0.40
SKP2 Q13309 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DPP4 P27487 1/20 0.37
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36
HSP90AB1 P08238 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP3A5 P20815 1/20 0.35

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
SCHEMBL103238 0.88 HTT (0.38) HTTMEN1KMT2AMAPTTSHR
SCHEMBL103826 0.87 MEN1 (0.45) GPR119CKS1BSKP1SKP2MEN1
SCHEMBL103379 0.85 CKS1B (0.47) GPR119CKS1BSKP1SKP2MEN1
SCHEMBL3595521 0.77 GPR119 (0.42) GPR119HTTCKS1BSKP1SKP2
SCHEMBL30385525 0.74 MAPT (0.50) GPR119HTTCKS1BSKP1SKP2
SCHEMBL29020676 0.74 MAPT (0.50) GPR119HTTCKS1BSKP1SKP2
SCHEMBL2416761 0.71 MEN1 (0.48) MEN1KMT2A
SCHEMBL25210145 0.71 MAPT (0.51) GPR119CKS1BSKP1SKP2MEN1
SCHEMBL30720125 0.71 MEN1 (0.48) GPR119CKS1BSKP1SKP2MEN1
SCHEMBL3590902 0.70 GPR119 (0.44) GPR119CKS1BSKP1SKP2MEN1

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 16/4885HTT 2209/4885CKS1B 509/4885

“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.