SCHEMBL3212833

SCHEMBL3212833

COC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.52
TP53 P04637 2/20 0.52
CASP3 P42574 2/20 0.48
KMT2A Q03164 2/20 0.47
KIF11 P52732 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
SLC17A5 Q9NRA2 1/20 0.45
MDM2 Q00987 1/20 0.45

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 1.00 MDM4 (0.52) MDM4TP53CASP3KMT2AKIF11
SCHEMBL3661858 0.93 MDM4 (0.47) MDM4TP53CASP3KMT2AKIF11
SCHEMBL12934191 0.93 MDM4 (0.51) MDM4TP53CASP3KMT2ASLC17A5
SCHEMBL13424243 0.93 MDM4 (0.51) MDM4TP53CASP3KMT2ASLC17A5
SCHEMBL5998507 0.92 MDM4 (0.55) MDM4TP53CASP3KMT2ASLC17A5
SCHEMBL1738641 0.92 MDM4 (0.55) MDM4TP53CASP3KMT2ASLC17A5
SCHEMBL29560536 0.92 MDM4 (0.55) MDM4TP53CASP3KMT2ASLC17A5
SCHEMBL29503847 0.92 MDM4 (0.55) MDM4TP53CASP3KMT2ASLC17A5
SCHEMBL29395463 0.92 MDM4 (0.55) MDM4TP53CASP3KMT2ASLC17A5
SCHEMBL3436122 0.92 MDM4 (0.55) MDM4TP53CASP3KMT2ASLC17A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230337702-A1 PROCESS FOR THE LINEAR SYNTHESIS OF GRAM-POSITIVE CLASS II BACTERIOCINS AND COMPOSITIONS AND USES THEREOF UNIVERSITé LAVAL (CA) 2023-10-26 US disclosed
US-20170210778-A1 NOVEL COMPOUNDS INVIVOGEN SAS (FR) 2017-07-27 US disclosed
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
WO-2016008946-A1 NOVEL COMPOUNDS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2016-01-21 WO disclosed
EP-2975046-A1 Novel compounds The Provost, Fellows, Foundation Scholars, and The Other Members of Board, of The College of The Holy and Undivided Trinity of Queen Elizabeth (IE) 2016-01-20 EP disclosed
US-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US 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-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8063065-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-8063065-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 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
US-20100063013-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-03-11 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 (6 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-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 MDM4 4809/4885TP53 4558/4885CASP3 1842/4885
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 MDM4 4809/4885TP53 4558/4885CASP3 1842/4885
US-20230337702-A1 PROCESS FOR THE LINEAR SYNTHESIS OF GRAM-POSITIVE CLASS II BACTERIOCINS AND COMPOSITIONS AND USES THEREOF PSAP, SBDS, MRPL21 MDM4 3920/4885TP53 3358/4885CASP3 3674/4885
US-20100063013-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTSZ MDM4 4847/4885TP53 3573/4885CASP3 388/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 MDM4 4794/4885TP53 4483/4885CASP3 1859/4885
US-20170210778-A1 NOVEL COMPOUNDS F12, C1R, F11 MDM4 4345/4885TP53 3503/4885CASP3 2948/4885

“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.