SCHEMBL12801511

SCHEMBL12801511

NCc1cccc(C2CCN(C(=O)c3ccc(O)c(O)c3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 10/20 0.56
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
KCNH2 Q12809 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
QDPR P09417 1/20 0.48

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
Hydrochloric Acid SCHEMBL13834810 0.99 TPSAB1 (0.55) TPSAB1CYP3A4CYP2D6KCNH2CA12
SCHEMBL14882330 0.91 TPSAB1 (0.54) TPSAB1CYP3A4CYP2D6KCNH2CA12
SCHEMBL14882331 0.91 TPSAB1 (0.54) TPSAB1CYP3A4CYP2D6KCNH2CA12
SCHEMBL14882332 0.90 TPSAB1 (0.56) TPSAB1CYP3A4CYP2D6KCNH2
SCHEMBL14882187 0.90 TPSAB1 (0.53) TPSAB1CYP3A4CYP2D6KCNH2CA12
SCHEMBL14882188 0.90 TPSAB1 (0.53) TPSAB1CYP3A4CYP2D6KCNH2CA12
SCHEMBL14882189 0.90 TPSAB1 (0.56) TPSAB1CYP3A4CYP2D6KCNH2
SCHEMBL13830737 0.89 TPSAB1 (0.57) TPSAB1CYP3A4CYP2D6KCNH2
SCHEMBL15866715 0.89 TOP1 (0.47) TPSAB1CYP3A4CYP2D6KCNH2
SCHEMBL14898152 0.89 TPSAB1 (0.55) TPSAB1

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-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 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 (2 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 4615/4885CYP3A4 1275/4885CYP2D6 322/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 TPSAB1 4326/4885CYP3A4 4816/4885CYP2D6 4856/4885

“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.