SCHEMBL2298510

SCHEMBL2298510

OCC(CO)n1c(O)nc2ncc(Cl)c(-c3ccc(F)cc3)c21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.34
ADORA1 P30542 1/20 0.32
MEN1 O00255 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
USP7 Q93009 1/20 0.32
RPS6KA3 P51812 1/20 0.32
MAPK14 Q16539 1/20 0.32
GCGR P47871 3/20 0.31
NTRK1 P04629 1/20 0.31
NR3C1 P04150 1/20 0.30
TGFBR1 P36897 2/20 0.30
RPS6KB1 P23443 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL2299259 0.93 TGFBR1 (0.34) METADORA1MEN1RAB9AKMT2A
SCHEMBL16503263 0.93 TGFBR1 (0.34) METADORA1MEN1RAB9AKMT2A
SCHEMBL2302270 0.91 GCGR (0.33) METMEN1RAB9AKMT2AUSP7
SCHEMBL2300003 0.91 GCGR (0.33) METMEN1RAB9AKMT2AUSP7
SCHEMBL2299439 0.89 MET (0.33) METMEN1RAB9AKMT2AUSP7
SCHEMBL2298547 0.88 GCGR (0.34) METMEN1RAB9AKMT2AUSP7
SCHEMBL2298772 0.88 GCGR (0.34) METMEN1RAB9AKMT2AUSP7
SCHEMBL2300218 0.88 USP7 (0.33) METADORA1MEN1RAB9AKMT2A
SCHEMBL2297662 0.88 USP7 (0.33) METADORA1MEN1RAB9AKMT2A
SCHEMBL2299085 0.86 USP7 (0.34) METADORA1MEN1RAB9AKMT2A

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 MET 3400/4885ADORA1 3223/4885MEN1 2273/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 MET 3492/4885ADORA1 3055/4885MEN1 2615/4885

“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.