SCHEMBL6429110

SCHEMBL6429110

CC(=O)NC(C(=O)O)C(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS2 P35354 1/20 0.41
THPO P40225 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
TP53 P04637 1/20 0.35
MTNR1A P48039 6/20 0.32
MTNR1B P49286 6/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
PLA2G2A P14555 1/20 0.32

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
SCHEMBL17340384 0.86 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL25594806 0.84 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL132349 0.82 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL1203937 0.82 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL193513 0.82 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL23896338 0.80 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL8058978 0.80 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL20951937 0.80 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL359087 0.80 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL17439187 0.80 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB

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-6875419-B2 Paramagnetic metal ion-based macrocyclic magnetization transfer contrast agents and method of use BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2005-04-05 US disclosed
EP-1390079-A2 PARAMAGNETIC METAL ION-BASED MACROCYLIC CONTRAST AGENTS Board of Regents University of Texas System (US) 2004-02-25 EP disclosed
US-20020127182-A1 Paramagnetic metal ion-based macrocylic magnetization transfer contrast agents and method of use BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-09-12 US disclosed
WO-2002043775-A2 PARAMAGNETIC METAL ION-BASED MACROCYCLIC CONTRAST AGENTS GODFREY, Cullen, M. (US) 2002-06-06 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-20020127182-A1 Paramagnetic metal ion-based macrocylic magnetization transfer contrast agents and method of use MTCH2, HRH3, HRH1 ALDH1A1 3813/4885SMN1; SMN2 4635/4885KDM4E 4384/4885

“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.