SCHEMBL2299477

SCHEMBL2299477

CC[C@@H](CO)n1c(O)nc2ncc(Cl)c(-c3ccc(F)c(F)c3)c21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.35
GCGR P47871 1/20 0.34
USP7 Q93009 1/20 0.33
GRIN2B Q13224 6/20 0.33
GRIN1 Q05586 1/20 0.33
TGFBR1 P36897 1/20 0.32
TRPV3 Q8NET8 3/20 0.32
GRM2 Q14416 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL2300057 1.00 PGR (0.35) PGRGCGRUSP7GRIN2BGRIN1
SCHEMBL2302651 0.95 PGR (0.36) PGRGCGRUSP7GRIN2BGRIN1
SCHEMBL2299259 0.89 TGFBR1 (0.34) GCGRUSP7TGFBR1
SCHEMBL16503263 0.89 TGFBR1 (0.34) GCGRUSP7TGFBR1
SCHEMBL3394974 0.89 USP7 (0.35) GCGRUSP7
SCHEMBL16496400 0.89 USP7 (0.35) GCGRUSP7
SCHEMBL2300197 0.88 PGR (0.34) PGRGRIN2BCYP1A2
SCHEMBL4119697 0.86 USP7 (0.34) GCGRUSP7GRIN2BGRIN1TGFBR1
SCHEMBL3396213 0.86 USP7 (0.34) GCGRUSP7GRIN2BGRIN1TGFBR1
SCHEMBL2300176 0.86 USP7 (0.33) GCGRUSP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US claimed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US claimed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 WO claimed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 US disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 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 (2 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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 PGR 3553/4885GCGR 1346/4885USP7 3474/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 PGR 3196/4885GCGR 1276/4885USP7 3466/4885

“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.