SCHEMBL1668612

SCHEMBL1668612

NCc1cccc(C2CCN(C(=O)Cc3ccc(B(O)O)cc3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
TPSAB1 Q15661 8/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
F10 P00742 1/20 0.43

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
SCHEMBL1668734 0.91 TPSAB1 (0.49) ALDH1A1POLBTPSAB1CYP3A4CYP2D6
SCHEMBL19387611 0.88 TPSAB1 (0.45) ALDH1A1POLBTPSAB1L3MBTL1CYP3A4
SCHEMBL14898002 0.86 TPSAB1 (0.46) TPSAB1
SCHEMBL14898107 0.86 TPSAB1 (0.46) TPSAB1
SCHEMBL15981354 0.85 TPSAB1 (0.55) TPSAB1CYP3A4CYP2D6KCNH2
SCHEMBL15866748 0.85 TPSAB1 (0.48) ALDH1A1POLBTPSAB1F10
SCHEMBL14898014 0.85 TPSAB1 (0.48) ALDH1A1POLBTPSAB1F10
SCHEMBL1669049 0.83 TPSAB1 (0.50) ALDH1A1POLBTPSAB1CYP3A4CYP2D6
SCHEMBL15861708 0.83 MAPT (0.47) ALDH1A1TPSAB1LMNARAB9A
SCHEMBL13830360 0.83 MAPT (0.47) ALDH1A1TPSAB1LMNARAB9A

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 13 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
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-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 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
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO 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 ALDH1A1 2127/4885POLB 3327/4885TPSAB1 4615/4885
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM TNFSF11, CD14, TNFRSF1A ALDH1A1 2750/4885POLB 2849/4885TPSAB1 4825/4885

“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.