Sugi Predict

Sugi Predict / Compounds / SCHEMBL211757

SCHEMBL211757

SCHEMBL211757

CC(=O)N(NCc1cccc(F)c1F)[C@@H](CCCC(=O)O)COC(=O)Nc1nnc(-c2ccccc2)s1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 6/20 0.41
▸ CSNK2A1 P68400 6/20 0.41
▸ RAB9A P51151 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ KDM4E B2RXH2 7/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GLS O94925 1/20 0.36
▸ S1PR1 P21453 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34

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
SCHEMBL213581 0.95 CSNK2A2 (0.42) CSNK2A2CSNK2A1RAB9ANPC1KDM4E
SCHEMBL210560 0.95 CSNK2A2 (0.41) CSNK2A2CSNK2A1RAB9ANPC1KDM4E
SCHEMBL212507 0.95 KDM4E (0.42) CSNK2A2CSNK2A1RAB9ANPC1KDM4E
SCHEMBL212406 0.94 CSNK2A2 (0.41) CSNK2A2CSNK2A1RAB9ANPC1KDM4E
SCHEMBL215000 0.94 CSNK2A2 (0.41) CSNK2A2CSNK2A1RAB9AKDM4ESMN1; SMN2
SCHEMBL211534 0.94 CSNK2A2 (0.40) CSNK2A2CSNK2A1RAB9ANPC1KDM4E
SCHEMBL213026 0.94 RAB9A (0.45) CSNK2A2CSNK2A1RAB9ANPC1KDM4E
SCHEMBL212086 0.92 CSNK2A2 (0.39) CSNK2A2CSNK2A1RAB9AKDM4ESMN1; SMN2
SCHEMBL214051 0.91 KDM4E (0.43) CSNK2A2CSNK2A1RAB9ANPC1KDM4E
SCHEMBL211215 0.89 CSNK2A2 (0.39) CSNK2A2CSNK2A1RAB9ANPC1KDM4E

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 6 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-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 CSNK2A2 534/4885CSNK2A1 714/4885RAB9A 2065/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK2A2 534/4885CSNK2A1 714/4885RAB9A 2065/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK2A2 534/4885CSNK2A1 714/4885RAB9A 2065/4885

“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.