SCHEMBL18545347

SCHEMBL18545347

O=S(=O)(O)CCCOCC(O)CN(CCN(CC(O)COCCCS(=O)(=O)O)CC(O)COCCCS(=O)(=O)O)CC(O)COCCCS(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LPAR5 Q9H1C0 1/20 0.33
LMNA P02545 1/20 0.32
APP P05067 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL18545277 0.94 USP2 (0.37) USP2HTTALDH1A1LPAR5LMNA
SCHEMBL1100606 0.86 USP2 (0.42) USP2HTTALDH1A1LPAR5LMNA
SCHEMBL3294418 0.84 USP2 (0.41) USP2HTTALDH1A1LPAR5LMNA
SCHEMBL20053094 0.84 CYP3A4 (0.45) USP2HTTALDH1A1LPAR5LMNA
SCHEMBL23837961 0.84 CYP3A4 (0.45) USP2HTTALDH1A1LPAR5LMNA
SCHEMBL18545337 0.84 HTT (0.35) HTTAPPCYP1A2CYP3A4CYP2C19
SCHEMBL23837963 0.82 GABRR1 (0.32) HTTAPP
SCHEMBL18545365 0.80 CYP3A4 (0.43) USP2HTTALDH1A1LPAR5CYP1A2
SCHEMBL23837975 0.80 CYP3A4 (0.43) USP2HTTALDH1A1LPAR5CYP1A2
SCHEMBL18545303 0.79 GABRR1 (0.33) HTTAPP

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-9944534-B2 Reducing aluminosilicate scale in the Bayer process ECOLAB USA INC. (US) 2018-04-17 US disclosed
US-20170050861-A1 Reducing Aluminosilicate Scale in the Bayer Process NALCO COMPANY (US) 2017-02-23 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-20170050861-A1 Reducing Aluminosilicate Scale in the Bayer Process DSP, SOST, SORD USP2 2966/4885HTT 2952/4885ALDH1A1 3497/4885

“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.