SCHEMBL1286154

SCHEMBL1286154

OC(CS)C(O)C(S)C(S)[C@@H](O)[C@H](O)CS

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
NR1I2 O75469 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL20239632 0.82 LMNA (0.39) LMNANR1I2ALDH1A1CYP1A2HTT
SCHEMBL20239655 0.82 LMNA (0.44) LMNANR1I2ALDH1A1CYP1A2HTT
SCHEMBL22917620 0.77 TDP1 (0.42) LMNANR1I2ALDH1A1CYP1A2HTT
Dl-Dithiothreitol SCHEMBL21114401 0.73 LMNA (0.44) LMNANR1I2ALDH1A1CYP1A2HTT
Dl-Dithiothreitol SCHEMBL17370231 0.73
Dl-Dithiothreitol SCHEMBL14496668 0.73
Dl-Dithiothreitol SCHEMBL87345 0.73
Dl-Dithiothreitol SCHEMBL21114400 0.73 LMNA (0.44) LMNANR1I2ALDH1A1CYP1A2HTT
Dithiothreitol SCHEMBL538995 0.73
Dl-Dithiothreitol SCHEMBL10601 0.73

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
US-8822146-B2 Derivatization of biomolecules by covalent coupling of non-cofactor compounds using methyltransferases VILNIUS UNIVERSITY (LT) 2014-09-02 US disclosed
US-20120094280-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INSTITUTAS (LT) 2012-04-19 US disclosed
US-20120088238-A1 CONVERSION OF ALPHA-HYDROXYALKYLATED RESIDUES IN BIOMOLECULES USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INSTITUTAS (LT) 2012-04-12 US disclosed
EP-0238441-B1 Insecticidal proteinaceous substance CIBA GEIGY AG (CH) 1993-11-10 EP disclosed
EP-0238441-A2 Insecticidal proteinaceous substance CIBA-GEIGY AG (CH) 1987-09-23 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-20120088238-A1 CONVERSION OF ALPHA-HYDROXYALKYLATED RESIDUES IN BIOMOLECULES USING METHYLTRANSFERASES HNMT, SHMT1, BHMT LMNA 477/4885NR1I2 2985/4885ALDH1A1 124/4885
US-20120094280-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES EZH1, DOHH, BHMT2 LMNA 464/4885NR1I2 2129/4885ALDH1A1 252/4885

“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.