SCHEMBL212507

SCHEMBL212507

CC(=O)N(NCc1cccc(F)c1F)[C@@H](CCCC(=O)O)COC(=O)Nc1nnc(-c2ccccc2F)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
HSD17B10 Q99714 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 8/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 9/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 3/20 0.37
CSNK2A2 P19784 2/20 0.36
CSNK2A1 P68400 2/20 0.36
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL214051 0.96 KDM4E (0.43) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL211757 0.95 CSNK2A2 (0.41) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL213354 0.93 KDM4E (0.43) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL213581 0.92 CSNK2A2 (0.42) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL210560 0.91 CSNK2A2 (0.41) KDM4EHSD17B10ALDH1A1RAB9ASMN1; SMN2
SCHEMBL212406 0.90 CSNK2A2 (0.41) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL215000 0.90 CSNK2A2 (0.41) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL213026 0.90 RAB9A (0.45) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL211534 0.89 CSNK2A2 (0.40) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL212086 0.89 CSNK2A2 (0.39) KDM4EHSD17B10ALDH1A1MEN1KMT2A

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
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 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 (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 KDM4E 3281/4885HSD17B10 2636/4885ALDH1A1 1710/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KDM4E 3281/4885HSD17B10 2636/4885ALDH1A1 1710/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KDM4E 3281/4885HSD17B10 2636/4885ALDH1A1 1710/4885

“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.