Sugi Predict

Sugi Predict / Compounds / SCHEMBL209913

SCHEMBL209913

SCHEMBL209913

COC(=O)c1ccc(NC(=O)OCCN(NCc2ccccc2Cl)C(C)=O)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 1/20 0.39
▸ RAB9A P51151 5/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ NPC1 O15118 4/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 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
SCHEMBL212593 0.91 EPHX2 (0.39) GCKRAB9AMAPTHDAC3EPHX2
SCHEMBL209559 0.87 RAB9A (0.39) RAB9AMAPTLMNANPC1MEN1
SCHEMBL209914 0.84 EPHX2 (0.42) GCKRAB9AMAPTHDAC3EPHX2
SCHEMBL2880895 0.79 KMT2A (0.42) RAB9AMAPTLMNANPC1MEN1
SCHEMBL212356 0.77 EPHX2 (0.43) GCKRAB9AMAPTHDAC3EPHX2
SCHEMBL210445 0.77 ABL1 (0.35) RAB9AMAPTLMNANPC1CASP1
SCHEMBL212461 0.77 MAPK1 (0.34) RAB9AMAPTLMNANPC1JAK2
SCHEMBL211381 0.76 KMT2A (0.48) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL15808659 0.75 — —
SCHEMBL212594 0.74 EPHX2 (0.42) GCKRAB9AHDAC3EPHX2HDAC1

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 GCK 4035/4885RAB9A 2065/4885MAPT 530/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GCK 4035/4885RAB9A 2065/4885MAPT 530/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GCK 4035/4885RAB9A 2065/4885MAPT 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.