SCHEMBL3661858

SCHEMBL3661858

CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.47
TP53 P04637 2/20 0.47
KMT2A Q03164 1/20 0.44
CASP3 P42574 2/20 0.43
KIF11 P52732 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SLC17A5 Q9NRA2 1/20 0.41
MDM2 Q00987 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL12744189 0.93 MDM4 (0.52) MDM4TP53KMT2ACASP3KIF11
SCHEMBL3212833 0.93 MDM4 (0.52) MDM4TP53KMT2ACASP3KIF11
SCHEMBL28565897 0.89 MDM4 (0.47) MDM4TP53KMT2ACASP3KIF11
SCHEMBL17446817 0.89 MDM4 (0.47) MDM4TP53KMT2ACASP3KIF11
SCHEMBL28565899 0.89 MDM4 (0.47) MDM4TP53KMT2ACASP3KIF11
SCHEMBL29579138 0.86 MDM4 (0.49) MDM4TP53KMT2ACASP3SLC17A5
SCHEMBL20545940 0.86 MDM4 (0.45) MDM4TP53KMT2ACASP3KIF11
SCHEMBL13424243 0.86 MDM4 (0.51) MDM4TP53KMT2ACASP3SLC17A5
SCHEMBL12934191 0.86 MDM4 (0.51) MDM4TP53KMT2ACASP3SLC17A5
SCHEMBL1738641 0.86 MDM4 (0.55) MDM4TP53KMT2ACASP3SLC17A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 MDM4 4809/4885TP53 4558/4885KMT2A 2845/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 MDM4 4794/4885TP53 4483/4885KMT2A 2839/4885

“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.