Sugi Predict

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SCHEMBL3510332

SCHEMBL3510332

CCOC(=O)C(CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)(Cc1ccccc1)[PH2]=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MMP8 P22894 3/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PPID Q08752 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ BCHE P06276 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL3514480 0.87 KMT2A (0.37) ALDH1A1MMP8MAPK1SMN1; SMN2POLB
SCHEMBL4872665 0.85 — —
SCHEMBL4871261 0.75 SMN1; SMN2 (0.37) RECQLALDH1A1MMP8SMN1; SMN2POLB
SCHEMBL3516030 0.74 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL4872675 0.71 — —
SCHEMBL4871262 0.70 MEN1 (0.39) RECQLALDH1A1MMP8SMN1; SMN2POLB
SCHEMBL27615261 0.70 SMN1; SMN2 (0.42) ALDH1A1MMP8CYP1A2SMN1; SMN2POLB
SCHEMBL4872670 0.70 KDM4E (0.31) RECQLALDH1A1TSHR
SCHEMBL25539662 0.69 ALDH1A1 (0.42) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL27615256 0.68 CYP3A4 (0.50) ALDH1A1CYP3A4SMN1; SMN2PPIDPOLB

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 RECQL 1478/4885ALDH1A1 109/4885MMP8 76/4885
US-20100278768-A1 Compounds and Methods for Inhibiting Axillary Malodour TYR, AOX1, APEH RECQL 1478/4885ALDH1A1 109/4885MMP8 76/4885
US-20040241795-A1 Compounds and methods for inhibiting axillary malodour AOX1, TYR, ME1 RECQL 1359/4885ALDH1A1 55/4885MMP8 93/4885

“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.