SCHEMBL6850448

SCHEMBL6850448

CNC(CCSC)C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
CYP2C9 P11712 1/20 0.49
GAA P10253 2/20 0.48
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
USP2 O75604 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
CASP1 P29466 1/20 0.43
HPGD P15428 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
SCHEMBL6777811 1.00 ALDH1A1 (0.51) ALDH1A1L3MBTL1CYP2C9GAAHTT
Hydrochloric Acid SCHEMBL6777810 0.98 ALDH1A1 (0.50) ALDH1A1L3MBTL1CYP2C9GAAHTT
Hydrochloric Acid SCHEMBL6777809 0.98 ALDH1A1 (0.50) ALDH1A1L3MBTL1CYP2C9GAAHTT
SCHEMBL10519749 0.85 PPID (0.49) ALDH1A1L3MBTL1CYP2C9USP2TAS1R3
SCHEMBL10519746 0.85 PPID (0.49) ALDH1A1L3MBTL1CYP2C9USP2TAS1R3
SCHEMBL27783252 0.84 ALDH1A1 (0.51) ALDH1A1L3MBTL1CYP2C9GAAHTT
SCHEMBL15075307 0.83 CYP2C9 (0.40) ALDH1A1L3MBTL1CYP2C9GAAHTT
Hydrochloric Acid SCHEMBL349509 0.83 RNPEP (0.40) ALDH1A1L3MBTL1CYP2C9GAAHTT
Water SCHEMBL7531308 0.83 RNPEP (0.40) ALDH1A1L3MBTL1CYP2C9GAAHTT
SCHEMBL15075309 0.83 CYP2C9 (0.40) ALDH1A1L3MBTL1CYP2C9GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4310093-A1 AMINO ACID DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR TREATING HEPATITIS, COMPRISING SAME Prazertherapeutics Inc. (KR) 2024-01-24 EP disclosed
WO-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 WO disclosed
US-20140243333-A1 SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS UNIVERSITY OF KANSAS (US) 2014-08-28 US disclosed
US-20110150837-A1 Amphiphilic polymer functionalized by methionine FLAMEL TECHNOLOGIES (FR) 2011-06-23 US disclosed
US-20100256142-A1 SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8- CARBOXAMIDES, OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS UNIVERSITY OF NORTH CAROLINA 2010-10-07 US 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-20110150837-A1 Amphiphilic polymer functionalized by methionine MTR, LNPEP, METAP1 ALDH1A1 3801/4885L3MBTL1 1225/4885CYP2C9 3479/4885
US-20100256142-A1 SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8- CARBOXAMIDES, OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS OPRM1, OPRK1, OPRL1 ALDH1A1 131/4885L3MBTL1 4020/4885CYP2C9 119/4885
US-20140243333-A1 SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS OPRM1, OPRK1, OPRD1 ALDH1A1 109/4885L3MBTL1 4174/4885CYP2C9 99/4885

“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.