SCHEMBL9976048

SCHEMBL9976048

COc1ccc(COc2coc(COS(C)(=O)=O)cc2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
RECQL P46063 1/20 0.53
CYP19A1 P11511 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
APLNR P35414 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
LDHA P00338 1/20 0.37

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
SCHEMBL22442298 0.87 RAB9A (0.54) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL2119743 0.86 NPC1 (0.53) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL20300263 0.84 RAB9A (0.51) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL23628928 0.83 NPC1 (0.57) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL9976049 0.83 NPC1 (0.57) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL9778350 0.83 RAB9A (0.57) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL103357 0.83 RAB9A (0.76) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL23217240 0.79 NPC1 (0.56) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL9778461 0.78 NPC1 (0.54) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL9976089 0.78 NPC1 (0.53) NPC1RAB9ACYP1A2CYP2C19RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
WO-2012087889-A2 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-28 WO disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 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-20120157465-A1 DNA METHYLATION INHIBITORS MECP2, DNMT1, DNMT3B NPC1 2614/4885RAB9A 4038/4885CYP1A2 1653/4885

“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.