SCHEMBL1337083

SCHEMBL1337083

O=C(O)[C@@H]1C[C@H](OC(=O)[C@@H]2C[C@H](O)CN2C(=O)CBr)CN1C(=O)CBr

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
MME P08473 1/20 0.35
ACE P12821 1/20 0.34
ALDH1A1 P00352 1/20 0.33
FOLH1 Q04609 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
POLB P06746 1/20 0.31
VHL P40337 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
SCHEMBL1336882 1.00 ATM (0.45) ATMMMEACEALDH1A1FOLH1
SCHEMBL1336059 1.00 ATM (0.45) ATMMMEACEALDH1A1FOLH1
SCHEMBL1335548 1.00 ATM (0.45) ATMMMEACEALDH1A1FOLH1
SCHEMBL1336972 0.86 ATM (0.45) ATMMMEACEALDH1A1FOLH1
SCHEMBL1336800 0.86 ATM (0.45) ATMMMEACEALDH1A1FOLH1
SCHEMBL1336967 0.86 ATM (0.45) ATMMMEACEALDH1A1FOLH1
SCHEMBL1334634 0.86 ATM (0.45) ATMMMEACEALDH1A1FOLH1
SCHEMBL1336836 0.86 ATM (0.45) ATMMMEACEALDH1A1FOLH1
SCHEMBL1336843 0.86 ATM (0.45) ATMMMEACEALDH1A1FOLH1
SCHEMBL1334716 0.86 ATM (0.45) ATMMMEACEALDH1A1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods UBE INDUSTRIES, LTD. (JP) 2011-11-10 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-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods PFAS, AFF4, PAICS ATM 4472/4885MME 4392/4885ACE 1878/4885

“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.