SCHEMBL3835347

SCHEMBL3835347

CCOC(=O)CC(NC(=O)CNC(=O)c1cccc(N)c1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 13/20 0.52
SLC6A9 P48067 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.48
TAOK1 Q7L7X3 1/20 0.47
TAOK3 Q9H2K8 1/20 0.47
ITGB3 P05106 2/20 0.44
ITGB1 P05556 2/20 0.44
ITGAV P06756 2/20 0.44
ITGA5 P08648 2/20 0.44
MDM2 Q00987 2/20 0.44
MDM4 O15151 1/20 0.44
SLC6A5 Q9Y345 1/20 0.43

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
SCHEMBL6779290 0.89 ROCK2 (0.46) GPR139MEN1KMT2AATMITGB3
Hydrochloric Acid SCHEMBL7147673 0.88 ROCK2 (0.47) ITGB3
SCHEMBL14532475 0.86 ITGB3 (0.53) GPR139SLC6A9MEN1KMT2AATM
Trifluoroacetic Acid SCHEMBL6773199 0.85 ROCK2 (0.42) GPR139SLC6A9MEN1KMT2AATM
SCHEMBL6773591 0.85 GPR139 (0.53) GPR139SLC6A9MEN1KMT2AATM
SCHEMBL3839471 0.85 GPR139 (0.47) GPR139SLC6A9MEN1KMT2AATM
SCHEMBL6778751 0.85 GPR139 (0.47) GPR139SLC6A9MEN1KMT2AATM
SCHEMBL3834631 0.84 ALDH1A1 (0.54) GPR139SLC6A9MEN1KMT2AATM
SCHEMBL3835287 0.83 GPR139 (0.48) GPR139SLC6A9MEN1KMT2AATM
SCHEMBL7190225 0.83 ROCK2 (0.48) MEN1KMT2AITGB3

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
EP-1235595-B8 INTEGRIN-MEDIATED DRUG TARGETING BAYER SCHERING PHARMA AG (DE) 2009-10-07 EP disclosed
US-7220824-B1 Integrin-mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-20060189544-A1 Integrin-Mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2006-08-24 US disclosed
EP-1235595-A2 INTEGRIN-MEDIATED DRUG TARGETING Bayer Aktiengesellschaft (DE) 2002-09-04 EP disclosed
WO-2001017563-A2 INTEGRIN-MEDIATED DRUG TARGETING BAYER AKTIENGESELLSCHAFT (DE) 2001-03-15 WO 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-20060189544-A1 Integrin-Mediated drug targeting ITGAV, ITGB3, ITGB1 GPR139 2671/4885SLC6A9 4276/4885MEN1 2199/4885

“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.