SCHEMBL2597743

SCHEMBL2597743

COC(=O)C(C(=O)OC)c1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
TSHR P16473 1/20 0.50
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.42
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3726022 0.90 TSHR (0.49) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL8926621 0.85 TSHR (0.48) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL16413095 0.85 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL16419126 0.84 ALDH1A1 (0.57) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL7684130 0.84 ALDH1A1 (0.52) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL1855973 0.84 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL3311892 0.84 ALDH1A1 (0.52) ALDH1A1TSHRKMT2APOLBLMNA
SCHEMBL2597758 0.83 TSHR (0.58) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL2597759 0.83 TSHR (0.58) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL29875362 0.82 ALDH1A1 (0.51) ALDH1A1MAPTKMT2APOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426246-B1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2024-05-01 EP disclosed
US-10544113-B2 Thiazolidinone compounds and use thereof NATIONAL HEALTH RESEARCH INSTITUTE (TW) 2020-01-28 US disclosed
WO-2017155910-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-09-14 WO disclosed
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2017-09-07 US disclosed
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2017-09-07 US disclosed
US-20130072519-A1 2-PHENYL BENZOYLAMIDES CONN EDWARD LEE (US) 2013-03-21 US disclosed
US-20130072519-A1 2-PHENYL BENZOYLAMIDES CONN EDWARD LEE (US) 2013-03-21 US disclosed
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 WO disclosed
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 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 (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-10544113-B2 Thiazolidinone compounds and use thereof OPRL1, OPRD1, OPRK1 ALDH1A1 295/4885TSHR 131/4885MAPT 1648/4885
US-20130072519-A1 2-PHENYL BENZOYLAMIDES APOB, MTTP, HADHB ALDH1A1 885/4885TSHR 3186/4885MAPT 1599/4885
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF OPRL1, OPRD1, OPRK1 ALDH1A1 295/4885TSHR 131/4885MAPT 1648/4885

“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.