SCHEMBL3205533

SCHEMBL3205533

Cc1ccc(NC(=O)Nc2cccc(CN3CCN(S(N)(=O)=O)[C@@H](C)C3)c2F)cn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHODH Q02127 1/20 0.39
MAPK8 P45983 2/20 0.38
MAPK10 P53779 2/20 0.38
CCR3 P51677 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNH2 Q12809 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
P2RY1 P47900 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
SCHEMBL3196559 1.00 RORC (0.42) RORCNPC1RAB9ASMN1; SMN2DHODH
SCHEMBL3189536 0.92 RORC (0.42) RORCNPC1RAB9ASMN1; SMN2DHODH
SCHEMBL3206229 0.92 RORC (0.42) RORCNPC1RAB9ASMN1; SMN2DHODH
SCHEMBL3197488 0.91 RORC (0.43) RORCNPC1RAB9ASMN1; SMN2DHODH
SCHEMBL3208746 0.91 RORC (0.41) RORCNPC1RAB9ASMN1; SMN2DHODH
SCHEMBL3197767 0.91 RORC (0.41) RORCNPC1RAB9ASMN1; SMN2DHODH
SCHEMBL3203521 0.90 RORC (0.41) RORCNPC1RAB9ASMN1; SMN2DHODH
SCHEMBL3196600 0.90 RORC (0.41) RORCNPC1RAB9ASMN1; SMN2DHODH
SCHEMBL3206541 0.90 RORC (0.42) RORCNPC1RAB9ASMN1; SMN2DHODH
SCHEMBL3197593 0.88 RORC (0.46) RORCNPC1RAB9ASMN1; SMN2DHODH

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-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 2972/4885NPC1 4691/4885RAB9A 3170/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 RORC 2972/4885NPC1 4691/4885RAB9A 3170/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 RORC 2972/4885NPC1 4691/4885RAB9A 3170/4885

“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.