SCHEMBL1334599

SCHEMBL1334599

O=C(O)[C@@H]1CC(O)CN1C(=O)CBr

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
ACE P12821 3/20 0.41
MME P08473 1/20 0.39
DPP4 P27487 5/20 0.35
DPP8 Q6V1X1 5/20 0.35
DPP9 Q86TI2 5/20 0.35
VHL P40337 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL1334899 1.00 ATM (0.59) ATMACEMMEDPP4DPP8
SCHEMBL1334897 1.00 ATM (0.59) ATMACEMMEDPP4DPP8
SCHEMBL1336087 1.00 ATM (0.59) ATMACEMMEDPP4DPP8
SCHEMBL1334463 1.00 ATM (0.59) ATMACEMMEDPP4DPP8
SCHEMBL1334597 1.00 ATM (0.59) ATMACEMMEDPP4DPP8
SCHEMBL3721420 1.00 ATM (0.59) ATMACEMMEDPP4DPP8
SCHEMBL1335548 0.85 ATM (0.45) ATMACEMMEVHLMEN1
SCHEMBL1336882 0.85 ATM (0.45) ATMACEMMEVHLMEN1
SCHEMBL1337083 0.85 ATM (0.45) ATMACEMMEVHLMEN1
SCHEMBL1336059 0.85 ATM (0.45) ATMACEMMEVHLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8203003-B2 4-fluoropyrrolidine-2-carbonyl fluoride compounds and their preparative methods UBE INDUSTRIES, LTD. (JP) 2012-06-19 US disclosed
US-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods UBE INDUSTRIES, LTD. (JP) 2011-11-10 US disclosed
WO-2010081014-A1 NOVEL 4-FLUOROPYRROLIDINE-2-CARBONYL FLUORIDE COMPOUNDS AND THEIR PREPARATIVE METHODS IM&T RESEARCH, INC. (US) 2010-07-15 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-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods PFAS, AFF4, PAICS ATM 4472/4885ACE 1878/4885MME 4392/4885

“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.