SCHEMBL531022

SCHEMBL531022

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(Cl)nc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MT-CO2 P00403 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 2/20 0.36
TRPA1 O75762 1/20 0.36
ATR Q13535 1/20 0.35
PAX8 Q06710 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
DGAT1 O75907 1/20 0.34

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
SCHEMBL27791873 0.86 PAX8 (0.44) GAAKMT2ALMNAPOLBPKM
SCHEMBL2034907 0.83 HDAC1 (0.37) KMT2AMT-CO2MEN1SMN1; SMN2MAPT
SCHEMBL3634187 0.82 KMT2A (0.43) GAAKMT2ALMNAPOLBPKM
SCHEMBL23094630 0.82 MT-CO2 (0.38) KMT2ALMNAALDH1A1MT-CO2TRPA1
SCHEMBL17166912 0.81 SSTR4 (0.36) MT-CO2PAX8
SCHEMBL7696600 0.79 KMT2A (0.41) GAAKMT2ALMNAPOLBPKM
SCHEMBL3047803 0.79 KCNQ3 (0.43) GAAKMT2ALMNAPOLBPKM
SCHEMBL19470169 0.79 TRPA1 (0.34) MT-CO2L3MBTL1TRPA1PAX8
SCHEMBL13455247 0.79 PAX8 (0.49) GAAKMT2ALMNAALDH1A1MT-CO2
SCHEMBL4039542 0.78 P4HTM (0.36) MT-CO2L3MBTL1TRPA1PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286166-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2020-05-13 EP disclosed
US-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 US disclosed
EP-3286166-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-02-28 EP disclosed
WO-2016172424-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-27 WO disclosed
US-8866139-B2 Nonvolatile semiconductor memory device KABUSHIKI KAISHA TOSHIBA (JP) 2014-10-21 US disclosed
EP-2415762-B1 Method for manufacturing amino-aryl alkyl compounds SALTIGO GMBH (DE) 2014-04-23 EP disclosed
US-8569823-B2 Semiconductor device and manufacturing method thereof KABUSHIKI KAISHA TOSHIBA (JP) 2013-10-29 US disclosed
US-20130234130-A1 NONVOLATILE SEMICONDUCTOR MEMORY DEVICE TOSHIBA MEMORY CORPORATION (JP) 2013-09-12 US disclosed
US-8390054-B2 Semiconductor memory element and semiconductor memory device KABUSHIKI KAISHA TOSHIBA (JP) 2013-03-05 US disclosed
US-20120071662-A1 PREPARING AMINOARYLALKYL COMPOUNDS SALTIGO GMBH (DE) 2012-03-22 US disclosed
US-20120068250-A1 SEMICONDUCTOR DEVICE AND MANUFACTURING METHOD THEREOF TOSHIBA MEMORY CORPORATION (JP) 2012-03-22 US disclosed
EP-2415762-A2 Method for manufacturing amino-aryl alkyl compounds Saltigo GmbH (DE) 2012-02-08 EP disclosed
US-20110241101-A1 SEMICONDUCTOR MEMORY ELEMENT AND SEMICONDUCTOR MEMORY DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2011-10-06 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-20120071662-A1 PREPARING AMINOARYLALKYL COMPOUNDS CYP3A5, QDPR, AAAS GAA 1757/4885KMT2A 1559/4885LMNA 1396/4885
US-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H GAA 278/4885KMT2A 3450/4885LMNA 3667/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H GAA 278/4885KMT2A 3450/4885LMNA 3667/4885

“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.