SCHEMBL12801744

SCHEMBL12801744

NCc1ccc2c(c1)C1(CCN(C(=O)c3cccc(OCC(=O)CO)c3)CC1)CO2

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 12/20 0.56
PRSS2 P07478 12/20 0.56
PRSS3 P35030 12/20 0.56
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53

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
SCHEMBL11903453 0.90 PRSS1 (0.56) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL13835502 0.88 PRSS1 (0.52) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2111845 0.87 PRSS1 (0.64) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL12801747 0.86 PRSS1 (0.52) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109383 0.86 PRSS1 (0.64) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL13967330 0.85 PRSS1 (0.55) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110848 0.84 PRSS1 (0.57) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL1668683 0.83 PRSS1 (0.56) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2111114 0.82 PRSS1 (0.64) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109366 0.82 PRSS1 (0.74) PRSS1PRSS2PRSS3MAOAMAOB

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-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US 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-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
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO 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 PRSS1 3204/4885PRSS2 3599/4885PRSS3 4002/4885

“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.