SCHEMBL14169239

SCHEMBL14169239

O=C(O)/C=C\C(=O)N[C@H]1CCOC1=O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7088229 0.81
SCHEMBL19254779 0.79
SCHEMBL12783044 0.79
SCHEMBL15976412 0.79 SMN1; SMN2 (0.60) POLBHTTNPC1SMN1; SMN2
SCHEMBL3573585 0.78
SCHEMBL1669260 0.78
SCHEMBL12341587 0.78 NLRP3 (0.45)
SCHEMBL19518740 0.78 NLRP3 (0.45)
SCHEMBL15279125 0.75 MMP1 (0.47) SMN1; SMN2
SCHEMBL23169663 0.73

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-7384639-B2 Methods of treating or preventing an infectious disease using an immunogenic conjugate of a gram-negative bacterial autoinducer molecule UNIVERSITY OF ROCHESTER (US) 2008-06-10 US disclosed
US-7384639-B2 Methods of treating or preventing an infectious disease using an immunogenic conjugate of a gram-negative bacterial autoinducer molecule UNIVERSITY OF ROCHESTER (US) 2008-06-10 US disclosed
US-20070231839-A1 Methods of treating or preventing an infectious disease using an immunogenic conjugate of a gram-negative bacterial autoinducer molecule or antibodies that immunospecifically bind a gram-negative bacterial autoinducer molecule UNIVERSITY OF ROCHESTER (US) 2007-10-04 US disclosed
US-20070231839-A1 Methods of treating or preventing an infectious disease using an immunogenic conjugate of a gram-negative bacterial autoinducer molecule or antibodies that immunospecifically bind a gram-negative bacterial autoinducer molecule UNIVERSITY OF ROCHESTER (US) 2007-10-04 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-20070231839-A1 Methods of treating or preventing an infectious disease using an immunogenic conjugate of a gram-negative bacterial autoinducer molecule or antibodies that immunospecifically bind a gram-negative bacterial autoinducer molecule C1R, C3AR1, C5AR1 POLB 4409/4885HTT 3594/4885NPC1 3434/4885

“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.