SCHEMBL4090785

SCHEMBL4090785

CCCCCCCC(=O)OCCSC(=O)N(CCc1ccc(C(=O)OC)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.36
NPC1 O15118 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
THRA P10827 3/20 0.35
THRB P10828 3/20 0.35
CYP4A11 Q02928 2/20 0.34
DNM1 Q05193 1/20 0.34
MGLL Q99685 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
PDE6D O43924 1/20 0.34
AKT1 P31749 2/20 0.34
CYP4F2 P78329 1/20 0.34

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
SCHEMBL4087554 0.82 CYP4A11 (0.45) NPC1RAB9ACYP4A11AKT1CYP4F2
SCHEMBL4944026 0.74 AKT1 (0.44) NPC1RAB9ACYP4A11AKT1CYP4F2
SCHEMBL4946101 0.74 CYP4A11 (0.46) NPC1CYP4A11MGLLAKT1CYP4F2
SCHEMBL4944311 0.71 CYP4A11 (0.43) NPC1CYP4A11AKT1CYP4F2
SCHEMBL17064275 0.69 LMNA (0.45) NPC1CASP1RAB9ACYP4A11CYP4F2
SCHEMBL1402913 0.69 AKT1 (0.52) NPC1RAB9ACYP4A11AKT1CYP4F2
SCHEMBL6665900 0.68 RAB9A (0.55) DGKANPC1CASP1RAB9ACYP4A11
SCHEMBL12971158 0.68 RAB9A (0.64) DGKANPC1CASP1RAB9AMGLL
SCHEMBL23912343 0.67 CYP4A11 (0.60) CYP4A11CYP4F2
SCHEMBL19078982 0.67 CYP4A11 (0.50) THRATHRBCYP4A11PDE6DCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 DGKA 3003/4885NPC1 3052/4885CASP1 844/4885

“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.