SCHEMBL4140846

SCHEMBL4140846

O=C(O)C(CCO)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SRC P12931 1/20 0.31
OR51E2 Q9H255 1/20 0.31
CAMK2A Q9UQM7 1/20 0.31
PMP22 Q01453 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
SCHEMBL4654971 0.87 CHRM1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL19714690 0.84 GPR84 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2451211 0.80 FOLH1 (0.48)
SCHEMBL3264628 0.79 OR51E2 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1119747 0.78 GABRR1 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8746737 0.78 HDAC1 (0.54) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27694981 0.78 TP53 (0.30)
SCHEMBL10086908 0.78 FOLH1 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL15121243 0.78
SCHEMBL8831185 0.78 PTPN1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1950227-B1 HYDROXYPROPYL-SULFOBUTYL-ß-CYCLODEXTRIN, THE PREPARATION METHOD,THE ANALYTICAL METHOD AND THE PHARMACUTICAL APPLICATION THEREOF HAINAN HDETON SCIENCE AND TECHNOLOGY CO LTD (CN) 2014-10-08 EP disclosed
US-8278437-B2 Hydroxypropyl-sulfobutyl-beta-cyclodextrin, the preparation method, the analytical method, and the pharmacutical application thereof HAINAN HDETON SCIENCE AND TECHNOLOGY CO. LTD. (CN) 2012-10-02 US disclosed
US-20090012042-A1 Hydroxypropyl-Sulfobutyl-Beta-Cyclodextrin, the Preparation Method, the Analytical Method, and the Pharmacutical Application Thereof NANJING NORMAL UNIVERSITY (CN) 2009-01-08 US disclosed
EP-1950227-A1 HYDROXYPROPYL-SULFOBUTYL-ß-CYCLODEXTRIN, THE PREPARATION METHOD,THE ANALYTICAL METHOD AND THE PHARMACUTICAL APPLICATION THEREOF Nanjing Normal University (CN) 2008-07-30 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 (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-20090012042-A1 Hydroxypropyl-Sulfobutyl-Beta-Cyclodextrin, the Preparation Method, the Analytical Method, and the Pharmacutical Application Thereof HBZ, HBB, LBR CHRM1 1403/4885AKR1A1 1009/4885CHRM3 1158/4885

“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.