SCHEMBL1335529

SCHEMBL1335529

O=C(O)[C@H]1C[C@@H](O)CN1C(=O)CCl

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
ACE P12821 3/20 0.41
MME P08473 1/20 0.39
VHL P40337 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
PIK3CD O00329 1/20 0.33
ALDH1A1 P00352 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32

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
SCHEMBL1335528 1.00 ATM (0.59) ATMACEMMEVHLMEN1
SCHEMBL3721423 1.00 ATM (0.59) ATMACEMMEVHLMEN1
SCHEMBL1335640 1.00 ATM (0.59) ATMACEMMEVHLMEN1
SCHEMBL1334690 1.00 ATM (0.59) ATMACEMMEVHLMEN1
SCHEMBL1334691 1.00 ATM (0.59) ATMACEMMEVHLMEN1
SCHEMBL1334909 1.00 ATM (0.59) ATMACEMMEVHLMEN1
SCHEMBL1336800 0.85 ATM (0.45) ATMACEMMEVHLMEN1
SCHEMBL1334634 0.85 ATM (0.45) ATMACEMMEVHLMEN1
SCHEMBL1336843 0.85 ATM (0.45) ATMACEMMEVHLMEN1
SCHEMBL1336163 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094292-A Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2020-05-01 CN disclosed
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
US-20100174096-A1 Methods for Production of Optically Active Fluoropyrrolidine Derivatives IM&T RESEARCH, INC. (US) 2010-07-08 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 (2 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
US-20100174096-A1 Methods for Production of Optically Active Fluoropyrrolidine Derivatives QDPR, FDPS, DPYD ATM 4690/4885ACE 687/4885MME 2775/4885

“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.