SCHEMBL3203598

SCHEMBL3203598

CNC(=O)[C@@H]1CN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.41
DHODH Q02127 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR3 P51677 10/20 0.39
MAPK8 P45983 2/20 0.38
MAPK10 P53779 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.36
RXRB P28702 1/20 0.36
S1PR1 P21453 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
SCHEMBL3201367 1.00 RORC (0.41) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3201340 0.93 NPC1 (0.39) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3205108 0.93 NPC1 (0.39) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3212061 0.91 SIRT2 (0.40) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3188044 0.91 SIRT2 (0.40) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3196876 0.90 RORC (0.45) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3210356 0.90 RORC (0.40) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3204585 0.90 NPC1 (0.40) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3208737 0.89 RORC (0.47) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3200068 0.89 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.