SCHEMBL468822

SCHEMBL468822

CC(=O)NCC(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44
APAF1 O14727 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
GABRR1 P24046 2/20 0.41
CYP1A2 P05177 1/20 0.41
FOLH1 Q04609 2/20 0.40
NAALAD2 Q9Y3Q0 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS2 P35354 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL15474169 0.85 APAF1 (0.37) MTNR1AMTNR1BAPAF1CYP2D6CYP2C19
SCHEMBL24447196 0.84 MTNR1A (0.42) MTNR1AMTNR1BCYP2D6CYP2C19ALDH1A1
SCHEMBL18125961 0.82 CYP2D6 (0.64) APAF1CYP2D6CYP2C19GABRR1CYP1A2
SCHEMBL15044013 0.82 CYP2D6 (0.64) APAF1CYP2D6CYP2C19GABRR1CYP1A2
SCHEMBL11505440 0.81 APAF1 (0.47) APAF1CYP2D6CYP2C19GABRR1CYP1A2
SCHEMBL2878498 0.79 MTNR1A (0.42) MTNR1AMTNR1BCYP2D6CYP2C19ALDH1A1
SCHEMBL1331722 0.78 GABRR1 (0.44) APAF1CYP2D6CYP2C19GABRR1CYP1A2
SCHEMBL3994596 0.78 APAF1 (0.41) APAF1CYP2D6CYP2C19GABRR1CYP1A2
SCHEMBL10056838 0.78 GABRR1 (0.44) APAF1CYP2D6CYP2C19GABRR1CYP1A2
SCHEMBL10055164 0.78 GABRR1 (0.44) APAF1CYP2D6CYP2C19GABRR1CYP1A2

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039068-B1 MOISTURE CURABLE COMPOUND WITH AMINO ACIDS MOMENTIVE PERFORMANCE MAT INC (US) 2020-12-16 EP claimed
US-9914809-B2 Moisture curable composition with amino acids MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2018-03-13 US claimed
US-20160200880-A1 MOISTURE CURABLE COMPOSITION WITH AMINO ACIDS MOMENTIVE PERFORMANCE MATERIALS INC. 2016-07-14 US claimed
US-RE44302-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use YU RUEY J (US) 2013-06-18 US claimed
US-RE44017-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use YU RUEY J (US) 2013-02-19 US claimed
US-RE42902-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use TRISTRATA, INC. (US) 2011-11-08 US claimed
US-RE41339-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use TRISTRATA, INC. (US) 2010-05-18 US claimed
US-RE41278-E1 N-acetyl aldosamines and related N-acetyl compounds, and their topical use TRISTRATA, INC. 2010-04-27 US claimed
US-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 US claimed
EP-2080504-A2 Topical composition comprising n-acetylaldosamines or n-acetylamino acids Yu, Ruey J. (US) 2009-07-22 EP claimed
WO-2009067541-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-05-28 WO claimed
US-20080214649-A1 Compositions and Therapeutic Use of N-Acetyl Aldosamines and N-Acetylamino Acids YU RUEY J 2008-09-04 US claimed
WO-2006036634-A2 SYSTEMIC ADMINISTRATION OF THERAPEUTIC AMINO ACIDS AND N-ACETYLAMINO ACIDS YU RUEY J (US) 2006-04-06 WO claimed
EP-1639994-A2 Topical composition comprising N-acetylaldosamines or N-acetylamino acids Yu, Ruey J., Dr. (US) 2006-03-29 EP claimed
US-20060063827-A1 Systemic administration of therapeutic amino acids and N-acetylamino acids YU RUEY J 2006-03-23 US claimed
EP-1570840-A2 TOPICAL COMPOSITION COMPRISING N-ACETYLALDOSAMINES OR N-ACETYLAMINO ACIDS Yu, Ruey J., Dr. (US) 2005-09-07 EP claimed
US-20050171194-A1 Enlargement of mucocutaneous or cutaneous organs and sites with topical compositions YU RUEY J (US) 2005-08-04 US claimed
US-6524593-B1 Alleviate or improve various cosmetic conditions and dermatological disorders, skin, hair, nails TRISTRATA, INC. 2003-02-25 US claimed
US-6159485-A COSMETICS; SKIN DISORDERS YUGENIC LIMITED PARTNERSHIP (US) 2000-12-12 US claimed
WO-2000040217-B1 TOPICAL COMPOSITION COMPRISING N-ACETYLALDOSAMINES OR N-ACETYLAMINO ACIDS YUGENIC LIMITED PARTNERSHIP (US) 2000-10-05 WO claimed

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-20090291921-A1 INTEGRASE INHIBITORS TYMP, DNTT, PAICS MTNR1A 4648/4885MTNR1B 4650/4885APAF1 712/4885

“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.