SCHEMBL4929484

SCHEMBL4929484

COC(=O)c1ccc(CSc2nc3cc(C(=O)OC)ccc3n2-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.49
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
DRD2 P14416 2/20 0.48
TBXA2R P21731 2/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
IDH1 O75874 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL4928495 0.94 PTGDR2 (0.50) PTGDR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4932239 0.91 IDH1 (0.42) PTGDR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4925811 0.85 METAP2 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4930768 0.80 ALDH1A1 (0.53) HDAC6IDH1SMN1; SMN2NPC1POLB
SCHEMBL4930035 0.79 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9ATP53MAPK1
SCHEMBL4926357 0.73 DRD2 (0.55) PTGDR2DRD2TBXA2RSMN1; SMN2TP53
SCHEMBL4930112 0.73 TP53 (0.52) DRD2TBXA2RSMN1; SMN2NPC1TP53
SCHEMBL14463849 0.73 TP53 (0.52) NPC1TP53MAPK1POLBMAPT
SCHEMBL28462923 0.72 DRD2 (0.62) PTGDR2DRD2TBXA2RSMN1; SMN2NPC1
SCHEMBL28461433 0.72 MAPT (0.59) PTGDR2DRD2TBXA2RSMN1; SMN2NPC1

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-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 EP 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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 PTGDR2 280/4885HDAC3 744/4885HDAC4 598/4885

“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.