SCHEMBL3516033

SCHEMBL3516033

C=CCC(O)(P=O)C(CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DUT P33316 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
CYP2C19 P33261 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
SCHEMBL3516030 0.82 ALDH1A1 (0.38) ALDH1A1TSHRKMT2AHTTMEN1
SCHEMBL3514739 0.73 ALOX15 (0.37) KMT2AHTT
SCHEMBL3514480 0.73 KMT2A (0.37) ALDH1A1TSHRKMT2AHTTMEN1
SCHEMBL28685286 0.69 LTA4H (0.56)
SCHEMBL7850584 0.69 LTA4H (0.56)
SCHEMBL14947069 0.69 CYP1A2 (0.43) ALDH1A1TSHRMMP2MMP9
SCHEMBL21690121 0.69 LTA4H (0.56)
Water SCHEMBL29398886 0.68 LTA4H (0.55)
Water SCHEMBL29401417 0.68 LTA4H (0.55)
SCHEMBL29412205 0.68 CASP1 (0.47) ALDH1A1

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 ALDH1A1 109/4885TSHR 2615/4885KMT2A 4033/4885
US-20100278768-A1 Compounds and Methods for Inhibiting Axillary Malodour TYR, AOX1, APEH ALDH1A1 109/4885TSHR 2615/4885KMT2A 4033/4885
US-20040241795-A1 Compounds and methods for inhibiting axillary malodour AOX1, TYR, ME1 ALDH1A1 55/4885TSHR 2788/4885KMT2A 4278/4885

“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.