SCHEMBL1087101

SCHEMBL1087101

NC(=O)CC[C@H](NOC(C(=O)O)c1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
NAALAD2 Q9Y3Q0 2/20 0.42
CA2 P00918 5/20 0.41
CA1 P00915 4/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
C3AR1 Q16581 3/20 0.38
MME P08473 1/20 0.38
ECE1 P42892 1/20 0.38
GGH Q92820 1/20 0.37

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
SCHEMBL1086444 1.00 KMT2A (0.49) KMT2AMMP2MMP9NAALAD2CA2
SCHEMBL5840489 0.82 MMP2 (0.49) MMP2MMP9CA2CA1C3AR1
SCHEMBL6152839 0.82 MMP2 (0.49) MMP2MMP9CA2CA1C3AR1
SCHEMBL9725920 0.77 MME (0.49) MMP9MME
SCHEMBL3448329 0.72 KMT2A (0.64) KMT2AMMP2MMP9NAALAD2CA2
SCHEMBL3448327 0.72 KMT2A (0.64) KMT2AMMP2MMP9NAALAD2CA2
SCHEMBL6426081 0.71 KMT2A (0.56) KMT2AMMP2MMP9NAALAD2CA2
SCHEMBL5283204 0.71 KMT2A (0.56) KMT2AMMP2MMP9NAALAD2CA2
SCHEMBL4159914 0.71 KMT2A (0.49) KMT2AMMP2MMP9NAALAD2CA2
SCHEMBL28224269 0.71 KMT2A (0.49) KMT2AMMP2MMP9NAALAD2CA2

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
EP-1353672-B1 SYNTHESIS OF 4-AMINO-THALIDOMIDE ENANTIOMERS CHILDRENS MEDICAL CENTER (US) 2007-10-03 EP claimed
US-9694015-B2 Methods for the treatment of locally advanced breast cancer CELGENE CORPORATION (US) 2017-07-04 US disclosed
EP-3096142-A2 METHODS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES USING CEREBLON AS A PREDICTOR Celgene Corporation (US) 2016-11-23 EP disclosed
US-20160319005-A1 METHODS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES USING CEREBLON AS A PREDICTOR CELGENE CORPORATION 2016-11-03 US disclosed
US-9365640-B2 Methods for the treatment of cancer and inflammatory diseases using cereblon as a predictor CELGENE CORPORATION (US) 2016-06-14 US disclosed
US-20150224104-A1 METHODS FOR THE TREATMENT OF LOCALLY ADVANCED BREAST CANCER CELGENE CORPORATION 2015-08-13 US disclosed
EP-2892537-A1 METHODS FOR THE TREATMENT OF LOCALLY ADVANCED BREAST CANCER Celgene Corporation (US) 2015-07-15 EP disclosed
WO-2014039960-A1 METHODS FOR THE TREATMENT OF LOCALLY ADVANCED BREAST CANCER CELGENE CORPORATION (US) 2014-03-13 WO disclosed
EP-2702410-A2 METHODS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES USING CEREBLON AS A PREDICTOR Celgene Corporation (US) 2014-03-05 EP disclosed
US-20120322073-A1 METHODS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES USING CEREBLON AS A PREDICTOR CELGENE CORPORATION 2012-12-20 US disclosed
US-20070105903-A1 Synthesis and anti-tumor activity of nitrogen substituted thalidomide analogs CELGENE CORPORATION 2007-05-10 US disclosed
US-7153867-B2 Use of nitrogen substituted thalidomide analogs for the treatment of macular degenerator CELGENE CORPORATION (US) 2006-12-26 US disclosed
EP-1423115-A4 SYNTHESIS AND ANTI-TUMOR ACTIVITY OF NITROGEN SUBSTITUTED THALIDOMIDE ANALOGS CHILDRENS MEDICAL CENTER (US) 2006-08-16 EP disclosed
EP-1353672-A4 SYNTHESIS OF 3-AMINO-THALIDOMIDE AND ITS ENANTIOMERS CHILDRENS MEDICAL CENTER (US) 2004-12-15 EP disclosed
US-20040147558-A1 Synthesis of 3-amino-thalidomide and its enantiomers CHILDREN'S MEDICAL CENTER CORPORATION, THE 2004-07-29 US disclosed
EP-1423115-A2 SYNTHESIS AND ANTI-TUMOR ACTIVITY OF NITROGEN SUBSTITUTED THALIDOMIDE ANALOGS The Children's Medical Center Corporation (US) 2004-06-02 EP disclosed
EP-1353672-A2 SYNTHESIS OF 3-AMINO-THALIDOMIDE AND ITS ENANTIOMERS The Children's Medical Center Corporation (US) 2003-10-22 EP disclosed
US-20030139451-A1 Synthesis and anti-tumor activity of nitrogen substituted thalidomide analogs CHILDREN'S MEDICAL CENTER CORPORATION, THE 2003-07-24 US disclosed
WO-2003014315-A2 SYNTHESIS AND ANTI-TUMOR ACTIVITY OF NITROGEN SUBSTITUTED THALIDOMIDE ANALOGS THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2003-02-20 WO disclosed
WO-2002064083-A2 SYNTHESIS OF 3-AMINO-THALIDOMIDE AND ITS ENANTIOMERS THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2002-08-22 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 (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-20160319005-A1 METHODS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES USING CEREBLON AS A PREDICTOR CRBN, SERPINA6, TSG101 KMT2A 4065/4885MMP2 3096/4885MMP9 3899/4885
US-20120322073-A1 METHODS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES USING CEREBLON AS A PREDICTOR CRBN, SERPINA6, TSG101 KMT2A 4065/4885MMP2 3096/4885MMP9 3899/4885
US-20030139451-A1 Synthesis and anti-tumor activity of nitrogen substituted thalidomide analogs VEGFA, FLT4, FLT1 KMT2A 2462/4885MMP2 1927/4885MMP9 3174/4885
US-20150224104-A1 METHODS FOR THE TREATMENT OF LOCALLY ADVANCED BREAST CANCER BRCA1, TP53, CCR3 KMT2A 2923/4885MMP2 344/4885MMP9 196/4885
US-20040147558-A1 Synthesis of 3-amino-thalidomide and its enantiomers FLT4, KDR, FLT1 KMT2A 1136/4885MMP2 4647/4885MMP9 4454/4885
US-20070105903-A1 Synthesis and anti-tumor activity of nitrogen substituted thalidomide analogs VEGFA, FLT4, FLT1 KMT2A 2462/4885MMP2 1927/4885MMP9 3174/4885

“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.