SCHEMBL3486879

SCHEMBL3486879

CCSCCOP(=O)(O)S

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MVD P53602 1/20 0.37
LPAR3 Q9UBY5 7/20 0.36
LPAR2 Q9HBW0 5/20 0.36
LPAR1 Q92633 4/20 0.36
TSHR P16473 1/20 0.33

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
SCHEMBL1202635 0.79 MEN1 (0.57) MEN1KMT2ATDP1ALDH1A1CYP3A4
SCHEMBL10696687 0.76 MEN1 (0.48) MEN1KMT2ATDP1ALDH1A1CYP3A4
SCHEMBL2180857 0.75 ALDH1A1 (0.47) MEN1KMT2ATDP1ALDH1A1CYP3A4
SCHEMBL1202631 0.75 ALDH1A1 (0.47) MEN1KMT2ATDP1ALDH1A1CYP3A4
SCHEMBL1973590 0.75
SCHEMBL4300681 0.74 ALDH1A1 (0.41) ALDH1A1CYP3A4HSD17B10TSHR
SCHEMBL2180860 0.74 MEN1 (0.61) MEN1KMT2ATDP1ALDH1A1CYP3A4
SCHEMBL24909869 0.74 LPAR3 (0.33) TDP1ALDH1A1HSD17B10LPAR3LPAR2
SCHEMBL11446189 0.72 MEN1 (0.70) MEN1KMT2ATDP1ALDH1A1CYP3A4
SCHEMBL483082 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 US disclosed
US-20100041077-A1 PESTICIDE BIOMARKER ATERIS TECHNOLOGIES, LLC 2010-02-18 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 (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-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 MEN1 3248/4885KMT2A 1669/4885TDP1 760/4885

“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.