SCHEMBL1669131

SCHEMBL1669131

C[C@](O)(COc1cccc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 13/20 0.50
PARP14 Q460N5 1/20 0.49
PARP10 Q53GL7 1/20 0.49

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
SCHEMBL15861971 1.00 TPSAB1 (0.50) TPSAB1PARP14PARP10
SCHEMBL1671700 1.00 TPSAB1 (0.50) TPSAB1PARP14PARP10
SCHEMBL1671496 0.89 PARP14 (0.52) TPSAB1PARP14PARP10
SCHEMBL13835327 0.89 PARP14 (0.52) TPSAB1PARP14PARP10
SCHEMBL15861925 0.89 PARP14 (0.52) TPSAB1PARP14PARP10
SCHEMBL14898160 0.87 TPSAB1 (0.49) TPSAB1PARP14PARP10
SCHEMBL13835063 0.87 TPSAB1 (0.49) TPSAB1PARP14PARP10
SCHEMBL14898024 0.86 PARP14 (0.43) TPSAB1PARP14PARP10
Trifluoroacetic Acid SCHEMBL4404828 0.84 TPSAB1 (0.59) TPSAB1
SCHEMBL14879480 0.82 TPSAB1 (0.51) TPSAB1PARP14PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US claimed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US claimed
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP claimed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO claimed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 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-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM MYOF, FTH1, HCCS TPSAB1 4615/4885PARP14 1471/4885PARP10 1055/4885

“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.