SCHEMBL3728827

SCHEMBL3728827

CC(=O)NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
MDM2 Q00987 6/20 0.55
TLR2 O60603 3/20 0.54
MDM4 O15151 1/20 0.52
TP53 P04637 1/20 0.52
CASP3 P42574 1/20 0.49

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
SCHEMBL1738761 1.00 KMT2A (0.56) KMT2AMDM2TLR2MDM4TP53
SCHEMBL31437099 1.00 KMT2A (0.56) KMT2AMDM2TLR2MDM4TP53
SCHEMBL29401421 1.00 KMT2A (0.56) KMT2AMDM2TLR2MDM4TP53
SCHEMBL31437131 1.00 KMT2A (0.56) KMT2AMDM2TLR2MDM4TP53
SCHEMBL25357584 0.97 MDM2 (0.56) KMT2AMDM2TLR2MDM4TP53
SCHEMBL25357589 0.97 MDM2 (0.56) KMT2AMDM2TLR2MDM4TP53
SCHEMBL5495444 0.92 FOLH1 (0.57) KMT2AMDM2
SCHEMBL260631 0.92 KMT2A (0.66) KMT2AMDM2TLR2MDM4TP53
SCHEMBL178698 0.92 KMT2A (0.66) KMT2AMDM2TLR2MDM4TP53
SCHEMBL178733 0.92 KMT2A (0.66) KMT2AMDM2TLR2MDM4TP53

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
EP-3345917-B1 ANTIPROTOZOAL COMPOUNDS BACOBA AG (CH) 2021-11-17 EP disclosed
US-8338565-B2 Macrocyclic compounds for inhibition of tumor necrosis factor alpha ENSEMBLE THERAPEUTICS CORPORATION (US) 2012-12-25 US disclosed
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE THERAPEUTICS CORPORATION 2010-06-17 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-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA TNF, CD40, TNFRSF1A KMT2A 4176/4885MDM2 1236/4885TLR2 883/4885

“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.