SCHEMBL3048692

SCHEMBL3048692

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.50
TSHR P16473 1/20 0.50
GRIA1 P42261 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
FOLH1 Q04609 1/20 0.48
LNPEP Q9UIQ6 1/20 0.47
MDM4 O15151 1/20 0.47
MDM2 Q00987 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
CPA1 P15085 2/20 0.44
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
MIF P14174 1/20 0.44
NLRP3 Q96P20 1/20 0.44
CPA2 P48052 1/20 0.43
CPA4 Q9UI42 1/20 0.43
ACACB O00763 1/20 0.43

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
SCHEMBL3048691 1.00 TACR1 (0.50) TACR1TSHRGRIA1KMT2ANPSR1
SCHEMBL5887793 0.87 ACACB (0.53) TACR1ACACB
SCHEMBL5887794 0.87 ACACB (0.53) TACR1ACACB
SCHEMBL2859966 0.87 ACACB (0.53) TACR1MMEACEACACB
SCHEMBL5887606 0.87 TACR1 (0.46) TACR1ACACB
SCHEMBL5887604 0.87 TACR1 (0.46) TACR1ACACB
SCHEMBL2859969 0.87 ACACB (0.53) TACR1MMEACEACACB
SCHEMBL5813004 0.87 TACR1 (0.61) TACR1
SCHEMBL5812998 0.87 TACR1 (0.61) TACR1
SCHEMBL315117 0.86 NPSR1 (0.61) TACR1TSHRGRIA1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
CN-111592490-B Preparation method of key intermediate of roxasistat 浙江工业大学 2022-04-22 CN disclosed
CN-111592490-A Preparation method of key intermediate of roxasistat 浙江工业大学 2020-08-28 CN 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
CN-1812988-A Processes for making thiazolidinedione derivatives and compounds thereof SYNTHON BV (NL) 2006-08-02 CN disclosed
EP-1622898-A1 PROCESSES FOR MAKING THIAZOLIDINEDIONE DERIVATIVES AND COMPOUNDS THEREOF Synthon B.V. (NL) 2006-02-08 EP disclosed
US-20050059708-A1 Processes for making thiazolidinedione derivatives and compounds thereof SYNTHON BV (NL) 2005-03-17 US disclosed
WO-2004101560-A1 PROCESSES FOR MAKING THIAZOLIDINEDIONE DERIVATIVES AND COMPOUNDS THEREOF SYNTHON B.V. (NL) 2004-11-25 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 (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-20050059708-A1 Processes for making thiazolidinedione derivatives and compounds thereof PPARD, PPARG, PPARA TACR1 1074/4885TSHR 146/4885GRIA1 4045/4885

“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.