SCHEMBL5178142

SCHEMBL5178142

NC(=O)CC[C@H](NC(=O)OCCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
MME P08473 1/20 0.52
ECE1 P42892 1/20 0.52
CTSK P43235 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
MGLL Q99685 1/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.46
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL4799440 0.88 MME (0.49) KMT2AMMEECE1CTSKSMN1; SMN2
SCHEMBL14156449 0.88 MME (0.49) KMT2AMMEECE1CTSKSMN1; SMN2
SCHEMBL716987 0.86 MME (0.65) KMT2AMMEECE1CTSKSMN1; SMN2
SCHEMBL716988 0.86 MME (0.65) KMT2AMMEECE1CTSKSMN1; SMN2
SCHEMBL3509748 0.86 MME (0.65) KMT2AMMEECE1CTSKSMN1; SMN2
SCHEMBL31148983 0.86 RAB9A (0.54) MMEECE1CTSKSMN1; SMN2MGLL
SCHEMBL10192704 0.86 MME (0.65) KMT2AMMEECE1CTSKSMN1; SMN2
SCHEMBL11251557 0.85 MME (0.64) KMT2AMMEECE1CTSKSMN1; SMN2
SCHEMBL7297597 0.83 ITGB3 (0.55) ECE1CTSK
SCHEMBL14156363 0.82 MME (0.46) KMT2AMMEECE1CTSKSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7264956-B2 N-alpha-acyl-glutamine-aminoacylase for identifying enzyme inhibitors which prevent/supress sweating odor; deodorants GIVAUDAN SA (CH) 2007-09-04 US disclosed
EP-1811034-A2 Compounds and method for inhibiting axillary malodour Givaudan SA (CH) 2007-07-25 EP disclosed
EP-1387891-B1 COMPOUNDS AND METHODS FOR INHIBITING AXILLARY MALODOUR GIVAUDAN SA (CH) 2007-03-14 EP disclosed
US-20040241795-A1 Compounds and methods for inhibiting axillary malodour GIVAUDAN SA (CH) 2004-12-02 US disclosed
EP-1387891-A2 COMPOUNDS AND METHODS FOR INHIBITING AXILLARY MALODOUR Givaudan SA (CH) 2004-02-11 EP disclosed
WO-2002092024-A2 COMPOUNDS AND METHODS FOR INHIBITING AXILLARY MALODOUR GIVAUDAN SA (CH) 2002-11-21 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-20040241795-A1 Compounds and methods for inhibiting axillary malodour AOX1, TYR, ME1 KMT2A 4278/4885MME 665/4885ECE1 354/4885

“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.