Sugi Predict

Sugi Predict / Compounds / SCHEMBL3210104

SCHEMBL3210104

SCHEMBL3210104

CCS(=O)(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)C[C@H]1COC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ RORC P51449 2/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ MAPK8 P45983 2/20 0.36
▸ MAPK10 P53779 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CCR3 P51677 5/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ FPR1 P21462 2/20 0.35
▸ FPR2 P25090 2/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PDCD1 Q15116 1/20 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
SCHEMBL3203583 0.93 NPC1 (0.38) NPC1RAB9ASMN1; SMN2SIRT2RORC
SCHEMBL3208723 0.93 SIRT2 (0.38) NPC1RAB9ASMN1; SMN2SIRT2RORC
SCHEMBL3197657 0.92 SIRT2 (0.38) NPC1RAB9ASMN1; SMN2SIRT2RORC
SCHEMBL3211978 0.92 NPC1 (0.41) NPC1RAB9ASMN1; SMN2SIRT2RORC
SCHEMBL3206528 0.91 CYP1A2 (0.37) NPC1RAB9ASMN1; SMN2SIRT2RORC
SCHEMBL3196469 0.91 CYP1A2 (0.37) NPC1RAB9ASMN1; SMN2SIRT2RORC
SCHEMBL3189536 0.88 RORC (0.42) NPC1RAB9ASMN1; SMN2SIRT2RORC
SCHEMBL3206229 0.88 RORC (0.42) NPC1RAB9ASMN1; SMN2SIRT2RORC
SCHEMBL14837457 0.87 NPC1 (0.40) NPC1RAB9ASMN1; SMN2SIRT2RORC
SCHEMBL3200217 0.87 NPC1 (0.41) NPC1RAB9ASMN1; SMN2SIRT2RORC

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 — — US claimed
US-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 — — US disclosed
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2013-12-05 — — US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 — — US disclosed
EP-1959960-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2013-04-10 — — EP disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 — — US disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 — — 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-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 NPC1 4691/4885RAB9A 3170/4885SMN1; SMN2 1596/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 NPC1 4691/4885RAB9A 3170/4885SMN1; SMN2 1596/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 NPC1 4691/4885RAB9A 3170/4885SMN1; SMN2 1596/4885

“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.