SCHEMBL1001375

SCHEMBL1001375

O=C(O)Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.60
KMT2A Q03164 2/20 0.53
ENPP2 Q13822 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46
CASP3 P42574 2/20 0.46
NR1H4 Q96RI1 2/20 0.45
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
PTGIR P43119 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL29679600 1.00 EPHX2 (0.60) EPHX2KMT2AENPP2ITGB3ITGAV
SCHEMBL8366872 0.88 EPHX2 (0.75) EPHX2KMT2ACASP3FABP7FABP5
SCHEMBL13852689 0.88 EPHX2 (0.58) EPHX2KMT2AITGB3ITGAVCASP3
SCHEMBL2465503 0.87 EPHX2 (0.63) EPHX2KMT2AITGB3ITGAVCASP3
SCHEMBL7103741 0.86 EPHX2 (0.70) EPHX2KMT2AENPP2CASP3NR1H4
SCHEMBL23212115 0.86 EPHX2 (0.65) EPHX2KMT2AITGB3ITGAVCASP3
SCHEMBL2465375 0.86 EPHX2 (0.62) EPHX2KMT2AITGB3ITGAVCASP3
SCHEMBL15160758 0.86 EPHX2 (0.62) EPHX2KMT2ACASP3FABP7FABP5
SCHEMBL31607197 0.86 EPHX2 (0.65) EPHX2KMT2AITGB3ITGAVCASP3
SCHEMBL5931063 0.85 KMT2A (0.61) EPHX2KMT2AITGB3ITGAVCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160263238-A1 NOVEL MAYTANSINOID DERIVATIVES WITH PEPTIDE LINKER AND CONJUGATES THEREOF IMMUNOGEN, INC. 2016-09-15 US disclosed
US-20160263238-A1 NOVEL MAYTANSINOID DERIVATIVES WITH PEPTIDE LINKER AND CONJUGATES THEREOF IMMUNOGEN, INC. 2016-09-15 US disclosed
US-9289512-B2 Maytansinoid derivatives with peptide linker and conjugates thereof IMMUNOGEN, INC. (US) 2016-03-22 US disclosed
US-9289512-B2 Maytansinoid derivatives with peptide linker and conjugates thereof IMMUNOGEN, INC. (US) 2016-03-22 US disclosed
EP-2723389-A2 NOVEL MAYTANSINOID DERIVATIVES WITH PEPTIDE LINKER AND CONJUGATES THEREOF Immunogen, Inc. (US) 2014-04-30 EP disclosed
CN-103648532-A Novel maytansinoid derivatives with peptide linker and conjugates thereof IMMUNOGEN INC 2014-03-19 CN disclosed
US-20130136691-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2013-05-30 US disclosed
US-8444954-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-05-21 US disclosed
US-8420053-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-04-16 US disclosed
US-8420050-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-04-16 US disclosed
WO-1999025685-A1 4-SUBSTITUTED-4-PIPERIDINE CARBOXAMIDE DERIVATIVES MERCK & CO., INC. (US) 1999-05-27 WO disclosed
EP-0914333-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1999-05-12 EP disclosed
CN-1213379-A Peptide derivatives ZENECA LTD (GB) 1999-04-07 CN disclosed
EP-0882066-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1998-12-09 EP disclosed
WO-1998042656-A1 NOVEL COMPOUNDS CYTEL CORPORATION (US) 1998-10-01 WO disclosed
WO-1998025951-A1 INHIBITORS OF PEPTIDE BINDING TO MHC CLASS II PROTEINS ZENECA LIMITED (GB) 1998-06-18 WO disclosed
WO-1998023644-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1998-06-04 WO disclosed
WO-1998017680-A1 PEPTIDE ANALOGUES CONTAINING A 7-MEMBERED LACTAM RING ZENECA LIMITED (GB) 1998-04-30 WO disclosed
WO-1997046578-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1997-12-11 WO disclosed
WO-1997031023-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1997-08-28 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-20130136691-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS GRPR, GIPR, GHRHR EPHX2 4140/4885KMT2A 4582/4885ENPP2 136/4885
US-20160263238-A1 NOVEL MAYTANSINOID DERIVATIVES WITH PEPTIDE LINKER AND CONJUGATES THEREOF VIP, HDGF, NGLY1 EPHX2 1845/4885KMT2A 3960/4885ENPP2 663/4885

“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.