SCHEMBL4849252

SCHEMBL4849252

CCC(=O)OC(=O)C(F)(Br)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
WRN Q14191 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL4855735 0.83 ALDH1A1 (0.34) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL4849245 0.81
SCHEMBL153664 0.77 ALDH1A1 (0.33) ALDH1A1HIF1A
SCHEMBL28112044 0.77 ALDH1A1 (0.36) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL4485811 0.77 ALDH1A1 (0.36) ALDH1A1CYP1A2
Methyl Alcohol SCHEMBL29287415 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL20560650 0.76 MAPT (0.33) ALDH1A1HIF1A
SCHEMBL21488385 0.76 POLB (0.44) ALDH1A1HIF1A
SCHEMBL775980 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL22204635 0.75 ALDH1A1 (0.35) ALDH1A1CYP1A2HPGDCYP2C19BLM

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
US-7414148-B2 Process for producing alkoxycarbonylfluoroalkanesulfonates CENTRAL GLASS COMPANY LIMITED (JP) 2008-08-19 US claimed
US-20080108846-A1 PROCESS FOR PRODUCING ALKOXYCARBONYLFLUOROALKANESULFONATES CENTRAL GLASS COMPANY, LIMITED (JP) 2008-05-08 US claimed
US-7414148-B2 Process for producing alkoxycarbonylfluoroalkanesulfonates CENTRAL GLASS COMPANY LIMITED (JP) 2008-08-19 US disclosed
US-20080108846-A1 PROCESS FOR PRODUCING ALKOXYCARBONYLFLUOROALKANESULFONATES CENTRAL GLASS COMPANY, LIMITED (JP) 2008-05-08 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-20080108846-A1 PROCESS FOR PRODUCING ALKOXYCARBONYLFLUOROALKANESULFONATES ARSA, PFAS, MPST ALDH1A1 713/4885CYP1A2 823/4885HPGD 3522/4885

“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.