SCHEMBL4839775

SCHEMBL4839775

CON(C)C(=O)C(O[Si](C)(C)C(C)(C)C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 2/20 0.37
MLYCD O95822 1/20 0.36
CYP26A1 O43174 1/20 0.36
PDE2A O00408 7/20 0.36
FAAH O00519 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
SLC6A9 P48067 1/20 0.34

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
SCHEMBL4833441 0.87 FAAH (0.37) CYP26A1FAAH
SCHEMBL7725831 0.86 FAAH (0.38) CYP26A1FAAH
SCHEMBL4833715 0.84 ATM (0.36) FAAH
SCHEMBL2547680 0.80 PDE2A (0.35) TEAD1CYP26A1PDE2AAKR1C3AKR1C2
SCHEMBL2547677 0.80 PDE2A (0.35) TEAD1CYP26A1PDE2AAKR1C3AKR1C2
SCHEMBL1742760 0.79 TEAD1 (0.35) TEAD1MLYCDCYP26A1PDE2AFAAH
SCHEMBL12241678 0.78 JAK3 (0.36) TEAD1CYP26A1PDE2AUTS2R
SCHEMBL18568034 0.73 KDM4E (0.32) FAAH
SCHEMBL15049932 0.72 ADRB2 (0.38)
SCHEMBL15049933 0.72 ADRB2 (0.38)

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-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 US disclosed
EP-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 TEAD1 1237/4885MLYCD 3525/4885CYP26A1 1850/4885

“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.