SCHEMBL21064400

SCHEMBL21064400

CC(C)(CNC(=S)S)OC(=S)S

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP2C9 P11712 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 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
SCHEMBL21064390 0.77
SCHEMBL31553554 0.72
SCHEMBL11809503 0.65 HMGCR (0.41) ALDH1A1CYP2C19
SCHEMBL4742273 0.65
SCHEMBL26563512 0.64
SCHEMBL19692684 0.63
SCHEMBL20558554 0.63
SCHEMBL19692947 0.63
SCHEMBL11168529 0.61 TDP1 (0.53) ALDH1A1CYP2C9HPGDHSD17B10ALOX15
SCHEMBL503605 0.59

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-20190291045-A1 1-Amino-2-Methyl-2-Propanol Derivatives TPAT IP LLC 2019-09-26 US disclosed
US-10307707-B2 1-amino-2-methyl-2-propanol derivatives TPAT IP LLC 2019-06-04 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 (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-10307707-B2 1-amino-2-methyl-2-propanol derivatives PNMT, PKD1, PKD2 ALDH1A1 2340/4885CYP2C9 4739/4885HPGD 1346/4885
US-20190291045-A1 1-Amino-2-Methyl-2-Propanol Derivatives PNMT, PKD1, PKD2 ALDH1A1 2340/4885CYP2C9 4739/4885HPGD 1346/4885

“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.