SCHEMBL20009247

SCHEMBL20009247

CCC(=O)OC(CC)CS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.30
LMNA P02545 1/20 0.30
ESR1 P03372 1/20 0.30
HIF1A Q16665 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
Hydrochloric Acid SCHEMBL9712345 0.83 MEN1 (0.37) MEN1CYP2C19RECQLKMT2AALDH1A1
SCHEMBL8618864 0.82 TSHR (0.36) MEN1KMT2AALDH1A1MAPTSLC22A6
SCHEMBL6785594 0.80 MEN1 (0.48) MEN1CYP2C19RECQLKMT2AALDH1A1
SCHEMBL17817236 0.79 MAPK1 (0.60) MEN1CYP2C19KMT2AALDH1A1MAPT
SCHEMBL1484137 0.79 MAPT (0.44) ALDH1A1MAPTMAPK1LMNA
SCHEMBL1484140 0.79 MAPT (0.44) ALDH1A1MAPTMAPK1LMNA
SCHEMBL20009245 0.78
SCHEMBL18775775 0.78 MEN1 (0.33) MEN1CYP2C19RECQLKMT2AALDH1A1
SCHEMBL20009246 0.77 PRKCA (0.44)
SCHEMBL5956774 0.76 TSHR (0.36) ALDH1A1HIF1A

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-20180086948-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING A BIO-ELECTRODE, AND SALT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-29 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-20180086948-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING A BIO-ELECTRODE, AND SALT SLC9A1, FN1, EPCAM MEN1 1394/4885CYP2C19 3102/4885RECQL 3580/4885

“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.