SCHEMBL2724313

SCHEMBL2724313

CN(C(=O)NCc1cccc(F)c1Cl)[C@H](COC(=O)Nc1nc2ccc(F)cc2s1)C[C@@H](O)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.43
KMT2A Q03164 2/20 0.41
PTPN1 P18031 1/20 0.40
TRPV1 Q8NER1 5/20 0.39
PDPK1 O15530 1/20 0.39
DYRK1A Q13627 1/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
LRRK2 Q5S007 2/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
AGTR1 P30556 1/20 0.37
OPRK1 P41145 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2725612 0.94 CSNK1D (0.42) CSNK1DKMT2APTPN1TRPV1DYRK1A
SCHEMBL2727518 0.94 TRPV1 (0.41) CSNK1DKMT2APTPN1TRPV1DYRK1A
SCHEMBL2724315 0.93 TRPV1 (0.34) CSNK1DKMT2ATRPV1MEN1ALDH1A1
SCHEMBL210396 0.93 CSNK1D (0.40) CSNK1DKMT2APTPN1PDPK1DYRK1A
SCHEMBL2727808 0.93 CSNK1D (0.40) CSNK1DKMT2APTPN1PDPK1DYRK1A
SCHEMBL214705 0.92 CSNK1D (0.43) CSNK1DKMT2APTPN1TRPV1PDPK1
SCHEMBL2723928 0.92 RAB9A (0.43) CSNK1DKMT2ATRPV1DYRK1AHTT
SCHEMBL2725562 0.92 TRPV1 (0.41) CSNK1DTRPV1LMNANPC1RAB9A
SCHEMBL210542 0.87 CSNK1D (0.40) CSNK1DPTPN1TRPV1DYRK1AHTT
SCHEMBL2726514 0.87 CSNK1D (0.40) CSNK1DPTPN1TRPV1DYRK1AHTT

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-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CSNK1D 754/4885KMT2A 2418/4885PTPN1 606/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885KMT2A 2418/4885PTPN1 606/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885KMT2A 2418/4885PTPN1 606/4885

“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.