Sugi Predict

Sugi Predict / Compounds / SCHEMBL2722153

SCHEMBL2722153

SCHEMBL2722153

C[C@H]([C@@H](COC(=O)Nc1cc2cc(F)ccc2cn1)N(C)C(=O)NCc1ccccc1Cl)C(C)(C)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ ANO1 Q5XXA6 1/20 0.34
▸ MAPK1 P28482 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK14 Q16539 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
SCHEMBL2722469 1.00 ABL1 (0.35) ABL1ALDH1A1HTTNPC1ANO1
SCHEMBL211931 0.88 ANO1 (0.36) ABL1ALDH1A1NPC1ANO1MAPK1
SCHEMBL2725125 0.85 ABL1 (0.37) ABL1NPC1ANO1
SCHEMBL2722986 0.84 ALDH1A1 (0.42) ABL1ALDH1A1HTTNPC1ANO1
SCHEMBL213283 0.84 NPC1 (0.35) ABL1ALDH1A1HTTNPC1ANO1
SCHEMBL2758732 0.84 ALDH1A1 (0.35) ABL1ALDH1A1NPC1ANO1MAPK1
SCHEMBL212032 0.83 ALDH1A1 (0.34) ABL1ALDH1A1NPC1MAPK1SMN1; SMN2
SCHEMBL211736 0.83 ALDH1A1 (0.34) ABL1ALDH1A1NPC1MAPK1SMN1; SMN2
SCHEMBL212271 0.83 ANO1 (0.38) ALDH1A1HTTNPC1ANO1MAPK1
SCHEMBL211682 0.82 ANO1 (0.35) ABL1ALDH1A1HTTNPC1ANO1

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 ABL1 956/4885ALDH1A1 1710/4885HTT 1845/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABL1 956/4885ALDH1A1 1710/4885HTT 1845/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABL1 956/4885ALDH1A1 1710/4885HTT 1845/4885

“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.