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Sugi Predict / Compounds / SCHEMBL2723682

SCHEMBL2723682

SCHEMBL2723682

CN(C(=O)NCc1cccc(F)c1Cl)[C@H](COC(=O)Nc1ccc(Cl)cn1)CC(O)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RAB9A P51151 5/20 0.34
▸ NPC1 O15118 4/20 0.33
▸ TSHR P16473 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33

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
SCHEMBL213138 0.89 TDP1 (0.43) TDP1ALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL211509 0.89 NOTUM (0.34) TDP1ALDH1A1MAPTRAB9APKM
SCHEMBL211302 0.89 NOTUM (0.34) TDP1ALDH1A1MAPTRAB9APKM
SCHEMBL2725313 0.89 NOTUM (0.34) TDP1ALDH1A1MAPTRAB9APKM
SCHEMBL211510 0.89 NOTUM (0.34) TDP1ALDH1A1MAPTRAB9APKM
SCHEMBL211303 0.89 NOTUM (0.34) TDP1ALDH1A1MAPTRAB9APKM
SCHEMBL211304 0.89 NOTUM (0.34) TDP1ALDH1A1MAPTRAB9APKM
SCHEMBL212077 0.87 MAPK1 (0.33) TDP1
SCHEMBL213034 0.87 MAPK1 (0.33) TDP1
SCHEMBL211512 0.87 MAPK1 (0.33) TDP1

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 TDP1 1077/4885ALDH1A1 1710/4885MAPT 530/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TDP1 1077/4885ALDH1A1 1710/4885MAPT 530/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TDP1 1077/4885ALDH1A1 1710/4885MAPT 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.