SCHEMBL17830936

SCHEMBL17830936

CCCCN1C=CN(CCCS(=O)(=O)O)C1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.36
TSHR P16473 1/20 0.33
EPHX2 P34913 1/20 0.33
GBA1 P04062 1/20 0.31
GLB1 P16278 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
LMNA P02545 1/20 0.30
SLC6A6 P31641 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 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
SCHEMBL18155964 0.95 APP (0.35) APPTSHREPHX2GBA1GLB1
SCHEMBL329331 0.81 GBA1 (0.32) TSHRGBA1GLB1LMNAALDH1A1
Sulfuric Acid SCHEMBL4247477 0.81 GBA1 (0.32) TSHRGBA1GLB1
SCHEMBL28271612 0.79 GBA1 (0.31) TSHRGBA1GLB1HTT
Sulfuric Acid SCHEMBL27988212 0.79 GBA1 (0.31) TSHRGBA1GLB1
Octane SCHEMBL28171886 0.78 RECQL (0.33) TSHREPHX2GBA1BLM
SCHEMBL5286518 0.77 EBP (0.36) TSHRLMNAALDH1A1HTT
SCHEMBL5287172 0.77 GBA1 (0.31) GBA1GLB1
Water SCHEMBL27496381 0.76 APP (0.32) APP
SCHEMBL28814822 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168447-A1 HYDROXYPROPYL BETAINE BASED ZWITTERIONIC GEMINAL LIQUIDS, OBTAINING PROCESS AND USE AS WETTABILITY MODIFIERS WITH INHIBITORY/DISPERSANTS PROPERTIES OF ASPHALTENES INSTITUTO MEXICANO DEL PETROLEO (MX) 2016-06-16 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-20160168447-A1 HYDROXYPROPYL BETAINE BASED ZWITTERIONIC GEMINAL LIQUIDS, OBTAINING PROCESS AND USE AS WETTABILITY MODIFIERS WITH INHIBITORY/DISPERSANTS PROPERTIES OF ASPHALTENES GEMIN5, GEMIN4, DHCR7 APP 1175/4885TSHR 4882/4885EPHX2 1188/4885

“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.