SCHEMBL4401953

SCHEMBL4401953

O=C(Nc1cccc(C(=O)O)c1)ON1C(=O)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
PAX8 Q06710 1/20 0.47
KLF5 Q13887 1/20 0.47
MITF O75030 1/20 0.47
CREBBP Q92793 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
HPSE Q9Y251 1/20 0.46
ALDH1A1 P00352 2/20 0.45
APEX1 P27695 1/20 0.45
CBS P35520 1/20 0.45
CYP1A2 P05177 1/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL13747524 0.91 MEN1 (0.43) MEN1KMT2ANPC1RAB9APAX8
SCHEMBL1205198 0.84 SMN1; SMN2 (0.51) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4401957 0.82 CA12 (0.47) MEN1KMT2ARAB9AMITFNR1H4
SCHEMBL10030212 0.82 ALDH1A1 (0.53) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL11712107 0.82 HPGD (0.54) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL1162367 0.78 BCHE (0.50) MEN1KMT2ANPC1ALDH1A1SMN1; SMN2
SCHEMBL9315250 0.77 MGLL (0.56) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL17547235 0.76 KMT2A (0.49) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4401085 0.76 BRD4 (0.42) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL8475408 0.76 RAB9A (0.65) MEN1KMT2ANPC1RAB9APAX8

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-2252584-B1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS PROZYME INC (US) 2016-12-07 EP disclosed
US-8445292-B2 Compounds and methods for rapid labeling of N-glycans PROZYME, INC. (US) 2013-05-21 US disclosed
US-8445292-B2 Compounds and methods for rapid labeling of N-glycans PROZYME, INC. (US) 2013-05-21 US disclosed
US-20120107942-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS PROZYME, INC. (US) 2012-05-03 US disclosed
US-20120107942-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS PROZYME, INC. (US) 2012-05-03 US disclosed
US-8124792-B2 Compounds and methods for rapid labeling of N-glycans PROZYME, INC. (US) 2012-02-28 US disclosed
US-8124792-B2 Compounds and methods for rapid labeling of N-glycans PROZYME, INC. (US) 2012-02-28 US disclosed
US-20090258437-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS PROZYME, INC. (US) 2009-10-15 US disclosed
US-20090258437-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS PROZYME, INC. (US) 2009-10-15 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-20090258437-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS B3GNT2, FUT5, FUT6 MEN1 2451/4885KMT2A 3022/4885NPC1 490/4885

“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.