SCHEMBL24334152

SCHEMBL24334152

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
NAALAD2 Q9Y3Q0 3/20 0.37
FOLH1 Q04609 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ENPEP Q07075 2/20 0.30
LONP1 P36776 1/20 0.30

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
SCHEMBL24711411 0.81 TSHR (0.52) TSHRNAALAD2FOLH1ALDH1A1CYP2C19
SCHEMBL20441093 0.79 TSHR (0.38) TSHRNAALAD2FOLH1ALDH1A1CYP3A4
SCHEMBL21117077 0.77 GABRR1 (0.37) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL19951572 0.76 TGFBR1 (0.44) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL19951581 0.69 NPSR1 (0.56) NAALAD2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL9248885 0.69 ZDHHC20 (0.44) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL19963651 0.68 CYP2C9 (0.33) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL30374615 0.68 ALDH1A1 (0.33) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL20098783 0.68 ALDH1A1 (0.39) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL19951579 0.68 ALDH1A1 (0.39) TSHRALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220120649-A1 LIGAND-FUNCTIONALIZED SUBSTRATES WITH ENHANCED BINDING CAPACITY SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2022-04-21 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 (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-20220120649-A1 LIGAND-FUNCTIONALIZED SUBSTRATES WITH ENHANCED BINDING CAPACITY ILK, EPCAM, ECPAS TSHR 3878/4885NAALAD2 1119/4885FOLH1 520/4885

“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.