SCHEMBL2906542

SCHEMBL2906542

O=C(O)CNC(=O)OC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.47
F2 P00734 1/20 0.47
TDP1 Q9NUW8 3/20 0.44
ABAT P80404 1/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.43
HIF1A Q16665 2/20 0.43
POLB P06746 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GAA P10253 1/20 0.42
PRSS1 P07477 1/20 0.42
CTSG P08311 1/20 0.42
CTRB1 P17538 1/20 0.42
CMA1 P23946 1/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL20267418 0.81 TSHR (0.53) TSHRLMNAF2TDP1KMT2A
SCHEMBL11378444 0.81 TSHR (0.48) TSHRLMNAF2TDP1KMT2A
SCHEMBL9668519 0.80 POLB (0.50) TSHRLMNAF2TDP1KMT2A
SCHEMBL9801767 0.80 HDAC3 (0.51) TSHRLMNAF2TDP1KMT2A
SCHEMBL25418243 0.79 LTA4H (0.44) LMNAKMT2AMAPK1BCHE
SCHEMBL31432434 0.79 KMT2A (0.53) TSHRLMNAF2TDP1KMT2A
SCHEMBL28554560 0.77 TDP1 (0.58) TSHRLMNATDP1KMT2AALDH1A1
SCHEMBL1902999 0.77 MAPK1 (0.55) TSHRLMNAKMT2AALDH1A1MAPK1
SCHEMBL11260963 0.76 TSHR (0.56) TSHRLMNAF2TDP1KMT2A
SCHEMBL5579337 0.76 BCHE (0.45) TSHRLMNAF2TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222548-A1 METHOD FOR PRODUCING CONDENSATION PRODUCTS FROM N-SUBSTITUTED GLYCINE DERIVATIVES(PEPTOIDS) BY SEQUENTIAL UGI-MULTICOMPONENT REACTIONS WESSJOHANN LUDGER 2010-09-02 US disclosed
EP-2051992-B1 METHOD FOR PRODUCING CONDENSATION PRODUCTS FROM N-SUBSTITUTED GLYCINE DERIVATIVES (PEPTOIDS) BY SEQUENTIAL UGI-MULTICOMPONENT REACTIONS LEIBNIZ INST FUER PFLANZENBIOC (DE) 2010-08-04 EP disclosed
EP-2051992-A1 METHOD FOR PRODUCING CONDENSATION PRODUCTS FROM N-SUBSTITUTED GLYCINE DERIVATIVES (PEPTOIDS) BY SEQUENTIAL UGI-MULTICOMPONENT REACTIONS Institut für Pflanzenbiochemie-IPB (DE) 2009-04-29 EP disclosed
WO-2008022800-A1 METHOD FOR PRODUCING CONDENSATION PRODUCTS FROM N-SUBSTITUTED GLYCINE DERIVATIVES (PEPTOIDS) BY SEQUENTIAL UGI-MULTICOMPONENT REACTIONS LEIBNIZ-INSTITUT FÜR PFLANZENBIOCHEMIE (DE) 2008-02-28 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 (1 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-20100222548-A1 METHOD FOR PRODUCING CONDENSATION PRODUCTS FROM N-SUBSTITUTED GLYCINE DERIVATIVES(PEPTOIDS) BY SEQUENTIAL UGI-MULTICOMPONENT REACTIONS QPCT, GMPS, GMNN TSHR 4700/4885LMNA 199/4885F2 2106/4885

“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.