SCHEMBL1668823

SCHEMBL1668823

NCc1cccc(C2CCN(C(=O)c3cccc(NC(=O)C(O)CO)c3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 7/20 0.48
KMT2A Q03164 3/20 0.47
TSHR P16473 1/20 0.46
PARP14 Q460N5 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
KCNH2 Q12809 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
SCHEMBL13967564 0.91 KMT2A (0.52) KMT2ATSHR
SCHEMBL1668865 0.88 TPSAB1 (0.51) TPSAB1KMT2ATSHRPARP14CYP3A4
SCHEMBL1670879 0.88 KMT2A (0.47) KMT2ATSHRPARP14
SCHEMBL19387479 0.85 TPSAB1 (0.54) TPSAB1CYP3A4CYP2D6KCNH2
SCHEMBL15861719 0.85 KMT2A (0.46) TPSAB1KMT2ATSHRPARP14CYP3A4
SCHEMBL1668585 0.83 KMT2A (0.44) KMT2ATSHR
SCHEMBL19387636 0.81 TPSAB1 (0.52) TPSAB1PARP14CYP3A4CYP2D6KCNH2
SCHEMBL14879797 0.81 TPSAB1 (0.50) TPSAB1CYP3A4CYP2D6KCNH2
SCHEMBL13976517 0.81 TPSAB1 (0.46) TPSAB1KMT2APARP14CYP3A4CYP2D6
SCHEMBL16771622 0.81 TPSAB1 (0.57) TPSAB1CYP3A4CYP2D6KCNH2

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 9 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 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
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 (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 4615/4885KMT2A 4829/4885TSHR 2519/4885

“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.