SCHEMBL1669036

SCHEMBL1669036

NCc1cccc(C2CCN(C(=O)Cc3cccc([C@@](O)(C(=O)O)c4ccccc4)c3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 14/20 0.50
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
F10 P00742 1/20 0.47

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
SCHEMBL15866756 1.00 TPSAB1 (0.50) TPSAB1ALDH1A1POLBF10
SCHEMBL1668918 0.86 TPSAB1 (0.54) TPSAB1
SCHEMBL14898187 0.86 TPSAB1 (0.54) TPSAB1
SCHEMBL19387609 0.83 ALDH1A1 (0.54) TPSAB1ALDH1A1POLBF10
SCHEMBL22652416 0.79 TPSAB1 (0.52) TPSAB1
SCHEMBL13835471 0.79 TPSAB1 (0.52) TPSAB1
SCHEMBL13835521 0.79 TPSAB1 (0.52) TPSAB1
SCHEMBL1669049 0.79 TPSAB1 (0.50) TPSAB1ALDH1A1POLBF10
Trifluoroacetic Acid SCHEMBL4398023 0.78 TPSAB1 (0.55) TPSAB1F10
SCHEMBL1668734 0.78 TPSAB1 (0.49) TPSAB1ALDH1A1POLBF10

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 4615/4885ALDH1A1 2127/4885POLB 3327/4885

“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.