SCHEMBL18112573

SCHEMBL18112573

O=C(O)C(O)CSSCC(O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
TET2 Q6N021 6/20 0.46
TET3 O43151 2/20 0.46
TET1 Q8NFU7 1/20 0.46
KDM4A O75164 2/20 0.43
KDM4C Q9H3R0 2/20 0.43
KDM2A Q9Y2K7 2/20 0.43
GPR84 Q9NQS5 3/20 0.37
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
FFAR1 O14842 1/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.32

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
SCHEMBL721067 0.79
SCHEMBL13677846 0.79
SCHEMBL1405991 0.79
SCHEMBL16289579 0.78 OR51E2 (0.37) OR51E2SMN1; SMN2TET2TET3TET1
SCHEMBL19956884 0.77
SCHEMBL724401 0.75
SCHEMBL7442197 0.75
SCHEMBL8712420 0.73 CYP2D6 (0.37) OR51E2TET2TET3TET1TSHR
SCHEMBL9242381 0.73 OR51E2 (0.42) OR51E2SMN1; SMN2TET2TET3TET1
SCHEMBL9242389 0.73 OR51E2 (0.42) OR51E2SMN1; SMN2TET2TET3TET1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4127596-A1 AMMUNITION CARTRIDGE CONTAINING A POLYMER COMPOSITION Ticona LLC (US) 2023-02-08 EP disclosed
WO-2021126742-A1 POWDER BED FUSION PRINTING SYSTEM EMPLOYING A POLYARYLENE SULFIDE POWDER TICONA LLC (US) 2021-06-24 WO disclosed
WO-2019173428-A1 POLYARYLETHERKETONE COMPOSITION TICONA LLC (US) 2019-09-12 WO disclosed
US-20190029941-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS Dermaforce Holdings, LLC 2019-01-31 US disclosed
US-10123960-B2 Methods for treating of skin conditions with retinoid double conjugate compounds PCR TECHNOLOGY HOLDINGS, LC (US) 2018-11-13 US disclosed
WO-2017147146-A1 PRODRUGS OF PHENOLIC TRPV1 AGONISTS Concentric Analgesics, Inc. (US) 2017-08-31 WO disclosed
US-20160287507-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS Dermaforce Holdings, LLC 2016-10-06 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 (3 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-10123960-B2 Methods for treating of skin conditions with retinoid double conjugate compounds RARA, LRAT, RARG OR51E2 814/4885SMN1; SMN2 2688/4885TET2 3046/4885
US-20190029941-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS RARA, RARG, RXRA OR51E2 2371/4885SMN1; SMN2 2368/4885TET2 3782/4885
US-20160287507-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS RARA, RARG, RXRA OR51E2 926/4885SMN1; SMN2 2780/4885TET2 2816/4885

“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.