Sugi Predict

Sugi Predict / Compounds / SCHEMBL214052

SCHEMBL214052

SCHEMBL214052

CN(C(=O)NCc1cccc(F)c1F)[C@@H](CCCC(=O)O)COC(=O)Nc1nnc(-c2ccccc2Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ RAB9A P51151 6/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ MAPT P10636 3/20 0.34
▸ SAE1 Q9UBE0 2/20 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
SCHEMBL212508 0.96 KDM4E (0.42) NPC1KDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL2725748 0.94 KDM4E (0.45) NPC1KDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL211758 0.91 CSNK2A2 (0.41) NPC1KDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL215001 0.89 CSNK2A2 (0.41) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL2724127 0.89 KDM4E (0.43) NPC1KDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL213582 0.88 CSNK2A2 (0.42) NPC1KDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL214051 0.87 KDM4E (0.43) NPC1KDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL210561 0.87 CSNK2A2 (0.41) NPC1KDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL212407 0.86 CSNK2A2 (0.41) NPC1KDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL213027 0.86 RAB9A (0.45) NPC1KDM4EHSD17B10ALDH1A1SMN1; SMN2

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 NPC1 4684/4885KDM4E 3281/4885HSD17B10 2636/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NPC1 4684/4885KDM4E 3281/4885HSD17B10 2636/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NPC1 4684/4885KDM4E 3281/4885HSD17B10 2636/4885

“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.