SCHEMBL212596

SCHEMBL212596

CN(C(=O)NCc1cccc(F)c1F)[C@@H](CCC(=O)O)COC(=O)Nc1cc(-c2ccccc2)on1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.35
FOLH1 Q04609 1/20 0.35
MAPT P10636 4/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SCD5 Q86SK9 2/20 0.34
SCD O00767 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL210987 0.95 FOLH1 (0.36) MAOBFOLH1MAPTLMNARAB9A
SCHEMBL2726698 0.94 SCD5 (0.35) MAOBMAPTLMNARAB9AL3MBTL1
SCHEMBL2724049 0.91 SCD5 (0.34) MAOBFOLH1MAPTLMNARAB9A
SCHEMBL212861 0.91 KDM4E (0.38) MAOBFOLH1MAPTLMNARAB9A
SCHEMBL211535 0.91 HIF1A (0.38) MAOBMAPTLMNARAB9AL3MBTL1
SCHEMBL4350864 0.91 SCD5 (0.35) MAOBMAPTLMNARAB9AL3MBTL1
SCHEMBL212065 0.90 MAPT (0.33) MAOBFOLH1MAPTLMNARAB9A
SCHEMBL211433 0.90 RAB9A (0.34) MAOBFOLH1MAPTLMNARAB9A
SCHEMBL4345655 0.89 RAB9A (0.33) MAOBMAPTLMNARAB9AL3MBTL1
SCHEMBL2841376 0.88 MAOB (0.35) MAOBMAPTLMNARAB9AL3MBTL1

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 MAOB 378/4885FOLH1 1811/4885MAPT 530/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAOB 378/4885FOLH1 1811/4885MAPT 530/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAOB 378/4885FOLH1 1811/4885MAPT 530/4885

“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.