SCHEMBL3208723

SCHEMBL3208723

COC[C@@H]1CN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CCN1S(=O)(=O)N1CCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.38
RORC P51449 2/20 0.37
DHODH Q02127 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK8 P45983 2/20 0.35
MAPK10 P53779 2/20 0.35
NAMPT P43490 1/20 0.35
ATM Q13315 1/20 0.35
FPR1 P21462 2/20 0.35
FPR2 P25090 2/20 0.35
CCR3 P51677 5/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
P2RY1 P47900 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL3210104 0.93 NPC1 (0.39) SIRT2RORCDHODHNPC1RAB9A
SCHEMBL3203583 0.92 NPC1 (0.38) SIRT2RORCDHODHNPC1RAB9A
SCHEMBL3197657 0.90 SIRT2 (0.38) SIRT2RORCDHODHNPC1RAB9A
SCHEMBL3196469 0.90 CYP1A2 (0.37) SIRT2RORCDHODHNPC1RAB9A
SCHEMBL3206528 0.90 CYP1A2 (0.37) SIRT2RORCDHODHNPC1RAB9A
SCHEMBL3206541 0.89 RORC (0.42) SIRT2RORCDHODHNPC1RAB9A
SCHEMBL4236163 0.86 NPC1 (0.45) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3205181 0.86 FPR1 (0.39) SIRT2RORCDHODHNPC1RAB9A
SCHEMBL3200015 0.86 RORC (0.40) SIRT2RORCDHODHNPC1RAB9A
SCHEMBL3198421 0.86 RORC (0.40) SIRT2RORCDHODHNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1959960-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2013-04-10 EP claimed
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US claimed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO 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 SIRT2 3650/4885RORC 2972/4885DHODH 3762/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 SIRT2 3650/4885RORC 2972/4885DHODH 3762/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 SIRT2 3650/4885RORC 2972/4885DHODH 3762/4885

“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.