SCHEMBL1661251

SCHEMBL1661251

COc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.51
ROCK1 Q13464 2/20 0.51
HPGDS O60760 4/20 0.43
CCKBR P32239 3/20 0.42
PTPN1 P18031 2/20 0.41
PTPN2 P17706 1/20 0.41
CCKAR P32238 1/20 0.40
LNPEP Q9UIQ6 3/20 0.40
ERAP2 Q6P179 2/20 0.40
KLKB1 P03952 2/20 0.40
ACE P12821 1/20 0.40
ERAP1 Q9NZ08 2/20 0.40
MME P08473 1/20 0.40
GRPR P30550 1/20 0.39

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
SCHEMBL1661913 0.84 ROCK2 (0.52) ROCK2ROCK1HPGDSPTPN1PTPN2
SCHEMBL1661020 0.82 CTSL (0.53) PTPN1MME
SCHEMBL1660937 0.79 APC (0.52) CCKBRPTPN1CCKAR
SCHEMBL25626461 0.79 ACE (0.48) PTPN1PTPN2ACE
SCHEMBL25627547 0.78 ACE (0.48) PTPN1PTPN2LNPEPERAP2ACE
SCHEMBL1661198 0.78 CTSL (0.57) PTPN1ACEMME
SCHEMBL1662115 0.77 NPY4R (0.56) PTPN1PTPN2
SCHEMBL1660331 0.77 NPY4R (0.58) PTPN1PTPN2
SCHEMBL25627552 0.77 OPRD1 (0.51) ACE
SCHEMBL1660444 0.77 PTPN1 (0.52) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3178836-A1 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2017-06-14 EP claimed
US-20120277164-A1 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 US claimed
EP-2491051-A2 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2012-08-29 EP claimed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO claimed
US-10697019-B2 Method of diagnosis and prognosis IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2020-06-30 US disclosed
US-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2017-08-24 US disclosed
EP-3180350-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY Imperial Innovations Ltd (GB) 2017-06-21 EP disclosed
EP-3178836-A1 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2017-06-14 EP disclosed
EP-2702167-B1 METHODS OF DIAGNOSIS AND PROGNOSIS OF MULTIPLE MYELOMA, BY MEASURING GADD45BETA EXPRESSION IMP INNOVATIONS LTD (GB) 2016-12-28 EP disclosed
US-9518083-B2 Gadd45beta targeting agents IMPERIAL INNOVATIONS LIMITED (GB) 2016-12-13 US disclosed
WO-2016024131-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY IMPERIAL INNOVATIONS LIMITED (GB) 2016-02-18 WO disclosed
US-20150368294-A1 GADD45BETA TARGETING AGENTS IP2IPO INNOVATIONS LIMITED (GB) 2015-12-24 US disclosed
US-8993717-B2 Gadd45beta targeting agents IMPERIAL INNOVATIONS LIMITED (GB) 2015-03-31 US disclosed
US-20140128330-A1 METHOD OF DIAGNOSIS AND PROGNOSIS IMPERIAL INNOVATIONS LIMITED (GB) 2014-05-08 US disclosed
EP-2702167-A2 METHOD OF DIAGNOSIS AND PROGNOSIS Imperial Innovations Limited (GB) 2014-03-05 EP disclosed
WO-2012146940-A2 METHOD OF DIAGNOSIS AND PROGNOSIS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 WO disclosed
US-20120277164-A1 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 US disclosed
EP-2491051-A2 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2012-08-29 EP disclosed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 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 (3 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-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY MCL1, DDIT3, MAP2K7 ROCK2 1294/4885ROCK1 1694/4885HPGDS 799/4885
US-20150368294-A1 GADD45BETA TARGETING AGENTS DDB1, CCL2, DDIT3 ROCK2 3346/4885ROCK1 3733/4885HPGDS 120/4885
US-20120277164-A1 GADD45BETA TARGETING AGENTS DDB1, CCL2, DDIT3 ROCK2 3346/4885ROCK1 3733/4885HPGDS 120/4885

“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.