SCHEMBL2289255

SCHEMBL2289255

CC1(C)CC(NC(=O)C(=O)Nc2ccccc2)CC(C)(C)N1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
POLB P06746 1/20 0.58
EZH2 Q15910 4/20 0.57
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
PKM P14618 1/20 0.56
ALOX15 P16050 1/20 0.56
ALOX12 P18054 1/20 0.56
RAD52 P43351 1/20 0.56
GFER P55789 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HTT P42858 1/20 0.56
KDM4E B2RXH2 1/20 0.54
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.50
USP2 O75604 1/20 0.48

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
SCHEMBL19414235 0.92 GAA (0.54) GAAPOLBEZH2KMT2AALDH1A1
SCHEMBL29196492 0.87 POLB (0.61) GAAPOLBEZH2KMT2AALDH1A1
SCHEMBL10525359 0.87 POLB (0.59) GAAPOLBEZH2KMT2AALDH1A1
SCHEMBL6790228 0.86 ALDH1A1 (0.51) GAAPOLBEZH2KMT2AALDH1A1
SCHEMBL1287360 0.86 ALDH1A1 (0.51) GAAPOLBEZH2KMT2AALDH1A1
SCHEMBL1287379 0.86 MEN1 (0.52) GAAPOLBKMT2AALDH1A1MEN1
SCHEMBL8738156 0.82 EZH2 (0.76) POLBEZH2KMT2AMEN1L3MBTL1
SCHEMBL6789098 0.81 GAA (0.43) GAAPOLBEZH2KMT2AALDH1A1
SCHEMBL11317525 0.81 LMNA (0.67) GAAPOLBEZH2KMT2AALDH1A1
SCHEMBL3295977 0.80 RECQL (0.57) GAAPOLBEZH2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021056105-A1 COMPOSITIONS AND METHODS BASED ON HIV GP120 MUTANTS CENTRE HOSPITALIER DE L'UNIVERSITÉ DE MONTRÉAL (CA) 2021-04-01 WO disclosed
US-9975848-B2 Inhibitors of HIV-1 entry and methods of use thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-05-22 US disclosed
US-9776963-B2 Small molecule CD4 mimetics and uses thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-10-03 US disclosed
US-20170233335-A1 INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF BRYN MAWR COLLEGE 2017-08-17 US disclosed
US-9403763-B2 CD4-mimetic inhibitors of HIV-1 entry and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-08-02 US disclosed
WO-2016025681-A1 INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-02-18 WO disclosed
US-20140350113-A1 CD4-MIMETIC INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-11-27 US disclosed
WO-2013090696-A1 CD4-MIMETIC INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-06-20 WO disclosed
US-8361969-B2 Designer cyclic peptides—HIV gp120 antagonists and their applications CZYRYCA PRZEMYSLAW (US) 2013-01-29 US disclosed
US-20120270806-A1 Designer Cyclic Peptides - HIV gp120 Antagonists and their Applications CZYRYCA PRZEMYSLAW (US) 2012-10-25 US disclosed
US-20110195083-A1 CYCLIC V3 PEPTIDES FOR ANTI HIV-1 VACCINE YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2011-08-11 US disclosed
WO-2010053583-A2 SMALL MOLECULE CD4 MIMETICS AND USES THEREOF DANA FARBER CANCER INSTITUTE (US) 2010-05-14 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-20140350113-A1 CD4-MIMETIC INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF CD4, CD14, CCR5 GAA 2735/4885POLB 2974/4885EZH2 4808/4885
US-20170233335-A1 INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF CD4, CD81, ICAM1 GAA 1820/4885POLB 1622/4885EZH2 4199/4885

“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.