Sugi Predict

Sugi Predict / Compounds / SCHEMBL211794

SCHEMBL211794

SCHEMBL211794

CC(=O)N(NCc1cccc(F)c1Cl)[C@@H](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)COC(=O)Nc1nc2ccccc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 2/20 0.39
▸ RAB9A P51151 6/20 0.37
▸ NPC1 O15118 5/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ GPR119 Q8TDV5 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ HDAC3 O15379 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
SCHEMBL212088 0.89 ATR (0.37) ATRRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL211795 0.89 ATR (0.37) ATRRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL211108 0.85 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL211568 0.85 USP30 (0.38) CYP1A2CYP2C19GPR119HDAC3HDAC1
SCHEMBL212274 0.85 ACHE (0.36) GPR119TRPV1
SCHEMBL212432 0.85 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL211287 0.84 MAPT (0.34) SMN1; SMN2GPR119HDAC6MAPT
SCHEMBL211041 0.82 CCNT1 (0.36) GPR119
SCHEMBL210349 0.82 MDM4 (0.34) GPR119HDAC6MAPT
SCHEMBL212428 0.80 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2

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 5 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-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 ATR 3854/4885RAB9A 2065/4885NPC1 4684/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ATR 3854/4885RAB9A 2065/4885NPC1 4684/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ATR 3854/4885RAB9A 2065/4885NPC1 4684/4885

“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.