SCHEMBL5353769

SCHEMBL5353769

COC(=O)CN(C(C)=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TSHR P16473 2/20 0.47
GLA P06280 1/20 0.47
MLYCD O95822 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
TP53 P04637 1/20 0.42
VEGFA P15692 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
NR1I2 O75469 1/20 0.42
TSPO P30536 1/20 0.41

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
SCHEMBL10541028 0.95 MLYCD (0.49) ALDH1A1TSHRGLAMLYCDMEN1
SCHEMBL10540452 0.87 MLYCD (0.46) ALDH1A1TSHRMLYCDMEN1KMT2A
SCHEMBL8439016 0.86 ALDH1A1 (0.47) ALDH1A1TSHRGLAMLYCDMEN1
SCHEMBL28294373 0.84 ALDH1A1 (0.46) ALDH1A1TSHRGLAMLYCDMEN1
SCHEMBL29873818 0.84 ALDH1A1 (0.46) ALDH1A1TSHRGLAMLYCDMEN1
SCHEMBL5813341 0.84 MLYCD (0.45) ALDH1A1TSHRMLYCDMEN1KMT2A
SCHEMBL6609664 0.83 ADRA2C (0.51) ALDH1A1TSHRGLAMLYCDMEN1
SCHEMBL6901524 0.83 MLYCD (0.50) ALDH1A1TSHRGLAMLYCDMEN1
SCHEMBL5807041 0.83 SMN1; SMN2 (0.60) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL11155479 0.83 MMP2 (0.49) ALDH1A1MLYCDMEN1KMT2ASMN1; 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
US-6824786-B2 TOPICAL APPLYING COSMETIC YU RUEY J (US) 2004-11-30 US claimed
EP-1455734-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES Yu, Ruey J., Dr. (US) 2004-09-15 EP claimed
US-20030108496-A1 Compositions comprising phenyl-glycine derivatives YU RUEY J (US) 2003-06-12 US claimed
WO-2003045338-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES YU RUEY J (US) 2003-06-05 WO claimed
US-7160902-B2 Amide derivatives and methods of their use ADOLOR CORPORATION (US) 2007-01-09 US disclosed
US-7160902-B2 Amide derivatives and methods of their use ADOLOR CORPORATION (US) 2007-01-09 US disclosed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US disclosed
WO-2005049564-A1 AMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-06-02 WO disclosed
US-20050107355-A1 Amide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-05-19 US disclosed
US-6824786-B2 TOPICAL APPLYING COSMETIC YU RUEY J (US) 2004-11-30 US disclosed
US-4439524-A Stereoselective resolution of phenylglycine derivatives with enzyme resins BAYER AKTIENGESELLSCHAFT (DE) 1984-03-27 US disclosed
EP-0073993-A2 Optically pure alpha-aminophenylacetic acid derivatives, process for their preparation and their use in the preparation of medicines BAYER AG (DE) 1983-03-16 EP disclosed
EP-0022492-B1 STEREO SELECTIVE RESOLUTION OF PHENYLGLYCINE DERIVATIVES WITH ENZYMERESINS BAYER AG (DE) 1982-09-29 EP disclosed
US-4260684-A Stereoselective resolution of phenylglycine derivatives and 4-hydroxyphenylglycine derivatives with enzyme resins BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
EP-0022492-A1 Stereo selective resolution of phenylglycine derivatives with enzymeresins BAYER AG (DE) 1981-01-21 EP disclosed
EP-0003786-B1 STEREOSELECTIVE SEPARATION OF PHENYLGLYCINE DERIVATIVES AND 4-HYDROXYPHENYLGLYCINE DERIVATIVES WITH ENZYME-CONTAINING POLYMERS BAYER AG (DE) 1980-12-10 EP disclosed
EP-0003786-A1 Stereoselective separation of phenylglycine derivatives and 4-hydroxyphenylglycine derivatives with enzyme-containing polymers BAYER AG (DE) 1979-09-05 EP 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 (2 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-20030108496-A1 Compositions comprising phenyl-glycine derivatives GRHPR, ARL1, SUCLG1 ALDH1A1 1110/4885TSHR 3740/4885GLA 61/4885
US-20050107355-A1 Amide derivatives and methods of their use HRH2, SLC10A2, ALPI ALDH1A1 614/4885TSHR 3662/4885GLA 785/4885

“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.