SCHEMBL3514739

SCHEMBL3514739

C=CCC(O)(P=O)C(CCC(N)=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 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
SCHEMBL3514736 0.76 ALOX15 (0.37) ALOX15BLMPMP22KMT2AHTT
SCHEMBL4875397 0.76 ALOX15 (0.37) ALOX15BLMPMP22KMT2A
SCHEMBL4874676 0.74 ALOX15 (0.35) ALOX15BLMPMP22KMT2A
SCHEMBL4868669 0.70 KIF11 (0.35) ALOX15BLMPMP22KMT2AHTT
SCHEMBL4869337 0.70 BLM (0.42) ALOX15BLMPMP22KMT2A
SCHEMBL4866054 0.68 ALOX15 (0.30) ALOX15BLMPMP22KMT2A
SCHEMBL28967231 0.65 KMT2A (0.50) ALOX15BLMPMP22KMT2A
SCHEMBL5483408 0.65 FOLH1 (0.39) ALOX15BLMPMP22KMT2A
SCHEMBL9376537 0.63 GRIK1 (0.53) ALOX15BLMPMP22KMT2A
SCHEMBL22844023 0.62 KMT2A (0.50) ALOX15BLMPMP22KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110318290-A1 Compounds and Methods for Inhibiting Axillary Malodour GIVAUDAN SA (CH) 2011-12-29 US disclosed
US-20100278768-A1 Compounds and Methods for Inhibiting Axillary Malodour GIVAUDAN SA (CH) 2010-11-04 US disclosed
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
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 (3 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-20110318290-A1 Compounds and Methods for Inhibiting Axillary Malodour TYR, AOX1, APEH ALOX15 151/4885BLM 4305/4885PMP22 2430/4885
US-20100278768-A1 Compounds and Methods for Inhibiting Axillary Malodour TYR, AOX1, APEH ALOX15 151/4885BLM 4305/4885PMP22 2430/4885
US-20040241795-A1 Compounds and methods for inhibiting axillary malodour AOX1, TYR, ME1 ALOX15 145/4885BLM 4247/4885PMP22 2885/4885

“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.