SCHEMBL5162472

SCHEMBL5162472

CC(C)OC(=O)CC(=O)c1ncccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
P2RX7 Q99572 1/20 0.41
MAPT P10636 2/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL5160977 0.81 P2RX7 (0.47) TSHRP2RX7CTNNB1WNT3AHSD17B10
SCHEMBL5163590 0.80 SMN1; SMN2 (0.50) TSHRMAPTCTNNB1WNT3AKDM4E
SCHEMBL1505564 0.76 MGAM (0.50) TSHRP2RX7MAPTCTNNB1WNT3A
SCHEMBL11716877 0.76 P2RX7 (0.45) P2RX7CTNNB1WNT3AKDM4EKMT2A
SCHEMBL5159978 0.75 P2RX7 (0.41) P2RX7CTNNB1WNT3AKDM4EL3MBTL1
SCHEMBL2587127 0.74 ALDH1A1 (0.53) TSHRKDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL5162460 0.73 NPC1 (0.40) TSHRMAPTKDM4EHSD17B10KMT2A
SCHEMBL28315849 0.73 LMNA (0.48) TSHRMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL1200654 0.73 TSHR (0.58) TSHRMAPTKDM4EKMT2AMEN1
SCHEMBL15096486 0.72 LMNA (0.53) TSHRP2RX7MAPTCTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913734-B2 Substituted aminothiazoles BARUCH S. BLUMBERG INSTITUTE 2021-02-09 US disclosed
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE 2019-08-08 US disclosed
WO-2018013508-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE (US) 2018-01-18 WO disclosed
US-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 US disclosed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP 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-10913734-B2 Substituted aminothiazoles ABAT, AADAT, BCAT1 TSHR 4126/4885P2RX7 3989/4885MAPT 307/4885
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO TSHR 4474/4885P2RX7 2943/4885MAPT 4661/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 TSHR 4126/4885P2RX7 3989/4885MAPT 307/4885

“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.