SCHEMBL649834

SCHEMBL649834

O=CN(c1ncc(/C=C2\S/C(=N\c3ccc(OC4CCC(C(=O)O)CC4)cc3C(F)(F)F)NC2=O)s1)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.34
ESRRA P11474 1/20 0.33
CNR1 P21554 1/20 0.33
NPSR1 Q6W5P4 3/20 0.32
MAPT P10636 2/20 0.32
RECQL P46063 1/20 0.32
ACSL1 P33121 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
CHRM5 P08912 1/20 0.30
GPR35 Q9HC97 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
SCHEMBL648825 0.89 DYRK3 (0.36) DYRK3CNR1NPSR1MAPTRECQL
SCHEMBL10176525 0.85 ABL1 (0.36) DYRK3ESRRACNR1NPSR1MAPT
SCHEMBL650221 0.85 ABL1 (0.36) DYRK3ESRRACNR1NPSR1MAPT
SCHEMBL653447 0.83 MAPT (0.39) NPSR1MAPTRECQLHPGDMEN1
SCHEMBL653599 0.80 MAPT (0.40) NPSR1MAPTRECQLHPGDMEN1
SCHEMBL650134 0.78 AKR1B1 (0.39) DYRK3MAPTHPGDMEN1POLB
SCHEMBL653505 0.78 MAPT (0.40) NPSR1MAPTRECQLHPGDMEN1
SCHEMBL10176526 0.77 KDR (0.39) DYRK3PIK3CD
SCHEMBL699754 0.75 KDR (0.38) DYRK3
SCHEMBL653362 0.75 MAPT (0.45) NPSR1MAPTRECQLHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119812-B2 Thiazolidinone derivative SBI BIOTECH CO., LTD. (JP) 2012-02-21 US disclosed
US-20110190299-A1 THIAZOLIDINONE DERIVATIVE SBI BIOTECH CO., LTD. (JP) 2011-08-04 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 (1 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-20110190299-A1 THIAZOLIDINONE DERIVATIVE CDC7, CDK17, CDCA2 DYRK3 1808/4885ESRRA 1593/4885CNR1 4723/4885

“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.