SCHEMBL946261

SCHEMBL946261

CN(CCOCCOCCOCCOCCC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDK2 Q15119 1/20 0.36
HDAC6 Q9UBN7 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
GBA1 P04062 1/20 0.32
KDM4E B2RXH2 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL26689402 1.00 BLM (0.38) BLMPMP22HSD17B10PDK2HDAC6
SCHEMBL22276510 0.90 PDK2 (0.40) BLMPMP22HSD17B10PDK2HDAC6
SCHEMBL22276649 0.90 PDK2 (0.40) BLMPMP22HSD17B10PDK2HDAC6
SCHEMBL21458597 0.87 BLM (0.38) BLMPMP22HSD17B10PDK2HDAC6
SCHEMBL30379736 0.87 BLM (0.38) BLMPMP22HSD17B10PDK2HDAC6
SCHEMBL28504242 0.87 PDK2 (0.36) BLMPMP22HSD17B10PDK2HDAC6
SCHEMBL21458928 0.87 BLM (0.38) BLMPMP22HSD17B10PDK2HDAC6
SCHEMBL24340623 0.85 CA14 (0.40) BLMPMP22HSD17B10HDAC6L3MBTL1
SCHEMBL1578129 0.84 MEN1 (0.40) PDK2HDAC6HDAC1HDAC2GBA1
SCHEMBL4700714 0.83 PDK2 (0.37) BLMPMP22HSD17B10PDK2HDAC6

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952147-B2 Conjugates, preparation thereof, and therapeutic use thereof SANOFI (FR) 2015-02-10 US disclosed
US-8952147-B2 Conjugates, preparation thereof, and therapeutic use thereof SANOFI (FR) 2015-02-10 US disclosed
US-8952147-B2 Conjugates, preparation thereof, and therapeutic use thereof SANOFI (FR) 2015-02-10 US disclosed
US-20140155590-A1 Conjugates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents SANOFI SA (FR) 2014-06-05 US disclosed
US-20140155590-A1 Conjugates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents SANOFI SA (FR) 2014-06-05 US disclosed
US-20140155590-A1 Conjugates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents SANOFI SA (FR) 2014-06-05 US disclosed
EP-2470547-B1 CONJUGATES OF PYRROLO[1,4]BENZODIAZEPINE DIMERS AS ANTICANCER AGENTS SANOFI SA (FR) 2014-05-14 EP disclosed
EP-2470547-B1 CONJUGATES OF PYRROLO[1,4]BENZODIAZEPINE DIMERS AS ANTICANCER AGENTS SANOFI SA (FR) 2014-05-14 EP disclosed
US-8481042-B2 Conjugates of pyrrolo[1,4]benzodiazepine dimers as anticancer agents SANOFI (FR) 2013-07-09 US disclosed
US-8481042-B2 Conjugates of pyrrolo[1,4]benzodiazepine dimers as anticancer agents SANOFI (FR) 2013-07-09 US disclosed
US-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-09-06 US disclosed
US-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-09-06 US disclosed
EP-2483279-A1 NEW MAYTANSINOIDS AND THE USE OF SAID MAYTANSINOIDS TO PREPARE CONJUGATES WITH AN ANTIBODY SANOFI (FR) 2012-08-08 EP disclosed
EP-2470547-A1 CONJUGATES OF PYRROLO[1,4]BENZODIAZEPINE DIMERS AS ANTICANCER AGENTS SANOFI (FR) 2012-07-04 EP disclosed
EP-2448929-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-09 EP disclosed
WO-2011039721-A1 NEW MAYTANSINOIDS AND THE USE OF SAID MAYTANSINOIDS TO PREPARE CONJUGATES WITH AN ANTIBODY SANOFI-AVENTIS (FR) 2011-04-07 WO disclosed
WO-2011039721-A1 NEW MAYTANSINOIDS AND THE USE OF SAID MAYTANSINOIDS TO PREPARE CONJUGATES WITH AN ANTIBODY SANOFI-AVENTIS (FR) 2011-04-07 WO disclosed
WO-2011023883-A1 CONJUGATES OF PYRROLO[1,4]BENZODIAZEPINE DIMERS AS ANTICANCER AGENTS SANOFI-AVENTIS (FR) 2011-03-03 WO disclosed
WO-2011023883-A1 CONJUGATES OF PYRROLO[1,4]BENZODIAZEPINE DIMERS AS ANTICANCER AGENTS SANOFI-AVENTIS (FR) 2011-03-03 WO disclosed
WO-2011001052-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-06 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-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF ERG28, CARS1, FOLH1 BLM 2116/4885PMP22 1935/4885HSD17B10 1100/4885
US-20140155590-A1 Conjugates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents GABRA4, GABRP, GABRA1 BLM 2294/4885PMP22 1856/4885HSD17B10 2676/4885

“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.