SCHEMBL1638349

SCHEMBL1638349

CCOC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 5/20 0.51
TLR1 Q15399 1/20 0.51
MDM2 Q00987 2/20 0.50
KMT2A Q03164 1/20 0.49
MDM4 O15151 1/20 0.43
TP53 P04637 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
SCHEMBL1638240 1.00 TLR2 (0.51) TLR2TLR1MDM2KMT2AMDM4
SCHEMBL10099568 0.94 MDM2 (0.47) TLR2TLR1MDM2KMT2AMDM4
SCHEMBL10067546 0.92 TLR2 (0.54) TLR2TLR1MDM2KMT2A
SCHEMBL27261267 0.90 TLR2 (0.54) TLR2TLR1MDM2KMT2A
SCHEMBL30783495 0.90 TLR2 (0.54) TLR2TLR1MDM2KMT2A
SCHEMBL29397631 0.90 MDM2 (0.59) TLR2TLR1MDM2KMT2AMDM4
SCHEMBL30477936 0.90 MDM2 (0.59) TLR2TLR1MDM2KMT2AMDM4
SCHEMBL178814 0.90 MDM2 (0.59) TLR2TLR1MDM2KMT2AMDM4
SCHEMBL1638340 0.90 MDM2 (0.59) TLR2TLR1MDM2KMT2AMDM4
SCHEMBL29400055 0.90 MDM2 (0.59) TLR2TLR1MDM2KMT2AMDM4

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-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 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 (2 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 TLR2 370/4885TLR1 814/4885MDM2 3920/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 TLR2 380/4885TLR1 631/4885MDM2 4060/4885

“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.