Sugi Predict

Sugi Predict / Compounds / SCHEMBL210946

SCHEMBL210946

SCHEMBL210946

CN(C(=O)NCc1cccc(F)c1Cl)C(COC(=O)Nc1cc2ccccc2cn1)CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ CTSK P43235 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ ANO1 Q5XXA6 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CTSA P10619 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ ABL1 P00519 3/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CASP3 P42574 2/20 0.32
▸ CASP6 P55212 2/20 0.32
▸ CASP8 Q14790 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.32
▸ GCK P35557 2/20 0.31
▸ RARA P10276 1/20 0.31

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
SCHEMBL210945 1.00 MAPK1 (0.35) MAPK1PKMRAB9ANOTUMCTSK
SCHEMBL209634 0.93 ABL1 (0.34) MAPK1PKMRAB9AALDH1A1ANO1
SCHEMBL210224 0.92 CTSK (0.36) MAPK1PKMRAB9ANOTUMCTSK
SCHEMBL2839845 0.92 CTSK (0.36) MAPK1PKMRAB9ANOTUMCTSK
SCHEMBL213143 0.92 CTSK (0.35) MAPK1PKMRAB9ANOTUMCTSK
SCHEMBL8510314 0.92 NOTUM (0.35) MAPK1PKMRAB9ANOTUMCTSK
SCHEMBL211344 0.91 NOTUM (0.34) MAPK1PKMRAB9ANOTUMCTSK
SCHEMBL210405 0.91 NOTUM (0.34) MAPK1PKMRAB9ANOTUMCTSK
SCHEMBL211345 0.91 NOTUM (0.34) MAPK1PKMRAB9ANOTUMCTSK
SCHEMBL27789140 0.91 NOTUM (0.34) MAPK1PKMRAB9ANOTUMCTSK

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 MAPK1 2926/4885PKM 478/4885RAB9A 2065/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPK1 2926/4885PKM 478/4885RAB9A 2065/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPK1 2926/4885PKM 478/4885RAB9A 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.