SCHEMBL6935159

SCHEMBL6935159

CCOP(=O)(CCCN(O)C=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.47
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 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
SCHEMBL16352114 0.89 PPARD (0.50) PPARDTSHRMEN1GAACYP2C9
SCHEMBL11441589 0.84 PPARD (0.48) PPARD
SCHEMBL6537250 0.82 LPAR3 (0.46)
SCHEMBL11440488 0.81 HDAC2 (0.33)
SCHEMBL18625781 0.79 HDAC1 (0.32)
SCHEMBL6937244 0.75 PPARD (0.47) PPARDTSHR
SCHEMBL16691825 0.75 PPARD (0.50) PPARDTSHRMEN1GAACYP2C9
SCHEMBL4158399 0.74 PPARD (0.74) PPARDTSHR
Fosmidomycin SCHEMBL14485270 0.74 S1PR2 (0.50)
SCHEMBL14488577 0.73 PPARD (0.42) PPARDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4182758-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-08 US claimed
US-9593136-B2 Compounds for inhibiting 1-deoxy-D-xylulose-5-phosphate reductoisomerase THE GEORGE WASHINGTON UNIVERSITY (US) 2017-03-14 US disclosed
US-9593136-B2 Compounds for inhibiting 1-deoxy-D-xylulose-5-phosphate reductoisomerase THE GEORGE WASHINGTON UNIVERSITY (US) 2017-03-14 US disclosed
US-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-12-25 US disclosed
US-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-12-25 US disclosed
EP-1071409-B1 USE OF ORGANOPHOSPHORIC COMPOUNDS FOR THE THERAPEUTIC AND PREVENTATIVE TREATMENT OF INFECTIONS BIOAGENCY AG (DE) 2003-10-15 EP disclosed
US-4182758-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-08 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-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE DCXR, G6PD, GRHPR PPARD 2765/4885TSHR 1505/4885MEN1 4748/4885

“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.