SCHEMBL2855689

SCHEMBL2855689

COC(=O)C(N)CCCNC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
GAA P10253 1/20 0.62
TDP1 Q9NUW8 2/20 0.53
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
CA1 P00915 9/20 0.48
CA2 P00918 9/20 0.48
CA12 O43570 6/20 0.48
CA9 Q16790 6/20 0.48
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL2855685 1.00 MEN1 (0.62) MEN1KMT2AGAATDP1MAOA
SCHEMBL131062 1.00 MEN1 (0.62) MEN1KMT2AGAATDP1MAOA
Hydrochloric Acid SCHEMBL131061 0.98 MEN1 (0.60) MEN1KMT2AGAATDP1MAOA
Hydrochloric Acid SCHEMBL21271788 0.98 MEN1 (0.60) MEN1KMT2AGAATDP1MAOA
SCHEMBL138402 0.95 MEN1 (0.56) MEN1KMT2AGAATDP1MAOA
SCHEMBL2247530 0.95 MEN1 (0.56) MEN1KMT2AGAATDP1MAOA
SCHEMBL8171267 0.95 MEN1 (0.56) MEN1KMT2AGAATDP1MAOA
Hydrochloric Acid SCHEMBL138401 0.94 MEN1 (0.55) MEN1KMT2AGAATDP1MAOA
Hydrochloric Acid SCHEMBL7352392 0.94 MEN1 (0.55) MEN1KMT2AGAATDP1MAOA
SCHEMBL12215023 0.94 TDP1 (0.58) MEN1KMT2AGAATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988444-B2 Antimicrobial compounds NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2021-04-27 US disclosed
WO-2020191348-A1 ARGININE GINGIPAIN INHIBITORS Cortexyme, Inc. (US) 2020-09-24 WO disclosed
US-20190256466-A1 ANTIMICROBIAL COMPOUNDS NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2019-08-22 US disclosed
EP-2812321-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2016-01-06 EP disclosed
US-8916702-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US disclosed
EP-2812321-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2014-12-17 EP disclosed
WO-2013119542-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-15 WO disclosed
US-20130203758-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-08 US disclosed
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
CN-102443048-A Synthetic method of 5-membered cyclopeptide JIANGSU YEW PHARMACEUTICAL CO LTD 2012-05-09 CN disclosed
EP-2119718-B1 MACROCYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-04-11 EP disclosed
US-7964601-B2 Agonist or antgonist and binders and inversion of agonist PALATIN TECHNOLOGIES, INC. (US) 2011-06-21 US disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
EP-2119718-A1 MACROCYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2009-11-18 EP disclosed
US-7456184-B2 Melanocortin receptor-specific compounds PALATIN TECHNOLOGIES INC. (US) 2008-11-25 US disclosed
US-20080234289-A1 Melanocortin Receptor-Specific Compounds PALATIN TECHNOLOGIES, INC. (US) 2008-09-25 US disclosed
EP-1885693-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 Wurster, Siegfried (FI) 2008-02-13 EP disclosed
WO-2006123020-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 JUVANTIA PHARMA LTD OY (FI) 2006-11-23 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 (5 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-20100056510-A1 Macrocyclic Compound HSP90AB1, HSP90B1, HSP90AA1 MEN1 2984/4885KMT2A 3546/4885GAA 362/4885
US-20190256466-A1 ANTIMICROBIAL COMPOUNDS MPO, CFTR, MMP8 MEN1 3424/4885KMT2A 4809/4885GAA 294/4885
US-20130203758-A1 Compounds for the Treatment of Hepatitis C HAVCR2, SLC10A1, HCCS MEN1 4684/4885KMT2A 4752/4885GAA 108/4885
US-20080234289-A1 Melanocortin Receptor-Specific Compounds MC1R, MC3R, MC5R MEN1 330/4885KMT2A 630/4885GAA 4525/4885
US-10988444-B2 Antimicrobial compounds MPO, CFTR, MMP8 MEN1 3424/4885KMT2A 4809/4885GAA 294/4885

“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.