SCHEMBL13563453

SCHEMBL13563453

NC(=O)C(Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 8/20 0.72
▸ GHSR Q92847 4/20 0.59
▸ ERAP2 Q6P179 1/20 0.55
▸ ERAP1 Q9NZ08 1/20 0.55
▸ LNPEP Q9UIQ6 1/20 0.55

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
SCHEMBL13563455 0.95 REN (0.67) RENGHSR
SCHEMBL29971719 0.89 REN (0.60) REN
SCHEMBL28133942 0.89 REN (0.60) REN
Hydrochloric Acid SCHEMBL27341574 0.88 REN (0.62) RENGHSR
SCHEMBL13563440 0.87 REN (0.75) REN
SCHEMBL27826956 0.86 AGTR2 (0.60) RENGHSR
SCHEMBL30184773 0.86 AGTR2 (0.60) RENGHSR
SCHEMBL20133407 0.85 REN (0.61) RENERAP2ERAP1LNPEP
Bromide SCHEMBL27422846 0.84 REN (0.58) RENGHSR
SCHEMBL28042599 0.83 REN (0.61) RENGHSRERAP2ERAP1LNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2017-08-24 — — US disclosed
US-9518083-B2 Gadd45beta targeting agents IMPERIAL INNOVATIONS LIMITED (GB) 2016-12-13 — — US 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-20120277164-A1 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 — — 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 (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 REN 3890/4885GHSR 4483/4885ERAP2 3136/4885
US-20150368294-A1 GADD45BETA TARGETING AGENTS DDB1, CCL2, DDIT3 REN 3966/4885GHSR 2264/4885ERAP2 1115/4885
US-20120277164-A1 GADD45BETA TARGETING AGENTS DDB1, CCL2, DDIT3 REN 3966/4885GHSR 2264/4885ERAP2 1115/4885

“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.

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