SCHEMBL5798379

SCHEMBL5798379

CC(NC(=O)CCl)N(C(C)NC(=O)CCl)C(C)NC(=O)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
LMNA P02545 4/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 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
SCHEMBL7051108 0.84 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAHTTNPC1
Hydrochloric Acid SCHEMBL28366848 0.74 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNAHTTNPC1
SCHEMBL4461351 0.73 POLB (0.35) POLBTRPA1ALDH1A1
SCHEMBL28941963 0.70 ALDH1A1 (0.50) POLBALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL263784 0.69
SCHEMBL5019737 0.67 POLB (0.48) POLBTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1018454 0.66 CYP3A4 (0.44) POLBALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL1018455 0.66 CYP3A4 (0.44) POLBALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL7052300 0.66 SLC1A2 (0.33) ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL24568694 0.65 EPHX1 (0.46) POLBTRPA1ALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006055644-A2 SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS GENENCOR INTERNATIONAL, INC. (US) 2006-05-26 WO disclosed
WO-2006055437-A2 SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS GENENCOR INTERNATIONAL, INC. (US) 2006-05-26 WO disclosed
US-20050272670-A1 Synthesis and use of glycodendrimer reagents DAVIS BENJAMIN G 2005-12-08 US disclosed
US-6627744-B2 A chemically modified mutant protein, e.g. an enzyme, having a substituted cysteine reacted with a glyosyslated thiosulfate; high esterase activity and low amidase activity of subtilisins; protease to degrade lectins GENENCOR INTERNATIONAL, INC. 2003-09-30 US disclosed
US-20020019039-A1 Synthesis and use of glycodendrimer reagents GENENCOR INTERNATIONAL, INC. 2002-02-14 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 (2 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-20020019039-A1 Synthesis and use of glycodendrimer reagents STT3A, STT3B, PTMS POLB 4838/4885TRPA1 3947/4885ALDH1A1 3111/4885
US-20050272670-A1 Synthesis and use of glycodendrimer reagents STT3A, PTMS, STT3B POLB 4841/4885TRPA1 3846/4885ALDH1A1 3072/4885

“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.