Sugi Predict

Sugi Predict / Compounds / SCHEMBL3209526

SCHEMBL3209526

SCHEMBL3209526

CC(=O)OCC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.43
▸ DHODH Q02127 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPK8 P45983 2/20 0.39
▸ MAPK10 P53779 2/20 0.39
▸ CCR3 P51677 5/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ P2RY1 P47900 1/20 0.36

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
SCHEMBL3191075 0.92 RORC (0.43) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3196895 0.91 RORC (0.45) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3203649 0.91 RORC (0.42) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3189243 0.90 RORC (0.47) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL4237706 0.89 RORC (0.48) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3210264 0.89 ALDH1A1 (0.43) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3196716 0.88 NPC1 (0.53) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL402588 0.88 ALDH1A1 (0.52) RORCDHODHNPC1RAB9ASMN1; SMN2
Omecamtiv Mecarbil SCHEMBL400544 0.88 RORC (0.47) RORCDHODHNPC1RAB9ASMN1; SMN2
Omecamtiv Mecarbil SCHEMBL29400097 0.88 RORC (0.47) RORCDHODHNPC1RAB9ASMN1; 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-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
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 RORC 2972/4885DHODH 3762/4885NPC1 4691/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 RORC 2972/4885DHODH 3762/4885NPC1 4691/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 RORC 2972/4885DHODH 3762/4885NPC1 4691/4885

“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.