SCHEMBL10308202

SCHEMBL10308202

CCSC(CCCCS)CCCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 4/20 0.55
▸ GSTK1 Q9Y2Q3 2/20 0.46
▸ ENPEP Q07075 1/20 0.44
▸ FFAR4 Q5NUL3 2/20 0.43
▸ FFAR1 O14842 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ AKR1B1 P15121 1/20 0.41
▸ TSHR P16473 4/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PPARG P37231 4/20 0.39
▸ PPARD Q03181 4/20 0.39
▸ PPARA Q07869 4/20 0.39
▸ GPR84 Q9NQS5 3/20 0.39
▸ HDAC11 Q96DB2 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ SLC22A8 Q8TCC7 1/20 0.39
▸ TLR2 O60603 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL3665865 0.93 GSTK1 (0.46) FOLH1GSTK1ENPEPFFAR4FFAR1
SCHEMBL10307794 0.86 ALDH1A1 (0.53) GSTK1FFAR4FFAR1ALDH1A1AKR1B1
SCHEMBL15833790 0.84 FFAR4 (0.62) FFAR4FFAR1ALDH1A1AKR1B1TSHR
SCHEMBL3113224 0.81 TSHR (0.56) FFAR4FFAR1ALDH1A1AKR1B1TSHR
SCHEMBL11514264 0.78 FFAR4 (0.73) FFAR4FFAR1ALDH1A1TSHRKMT2A
SCHEMBL10307776 0.77 GSTK1 (0.52) FOLH1GSTK1ENPEPFFAR4FFAR1
SCHEMBL15468633 0.76 GSTK1 (0.32) GSTK1
SCHEMBL17255853 0.75 FFAR4 (0.51) FFAR4FFAR1ALDH1A1AKR1B1TSHR
SCHEMBL10307750 0.75 GSTK1 (0.48) FOLH1GSTK1ENPEPFFAR4FFAR1
SCHEMBL13739049 0.74 FOLH1 (0.64) FOLH1GSTK1ENPEPFFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263653-B2 Pharmaceutical formulations containing lipoic acid derivatives CORNERSTONE PHARMACEUTICALS, INC. (US) 2012-09-11 — — US disclosed
US-20120178812-A1 Pharmaceutical Formulations Containing Lipoic Acid Derivatives RAFAEL PHARMACEUTICALS, INC. 2012-07-12 — — US disclosed
WO-2011050261-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES CORNERSTONE PHARMACEUTICALS, INC. (US) 2011-04-28 — — WO disclosed
US-20100190858-A1 Pharmaceutical Formulations Containing Lipoic Acid Derivatives RAFAEL PHARMACEUTICALS, INC. 2010-07-29 — — US disclosed
WO-2008131114-A2 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES CORNERSTONE PHARMACEUTICALS, INC. (US) 2008-10-30 — — WO disclosed
US-20080262077-A1 formulations containing lipoic acid derivatives are made. CORNERSTONE PHARMACEUTICALS, INC. 2008-10-23 — — 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 (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-20100190858-A1 Pharmaceutical Formulations Containing Lipoic Acid Derivatives SLC25A1, SLC25A21, SLC25A11 FOLH1 1346/4885GSTK1 2881/4885ENPEP 2852/4885
US-20120178812-A1 Pharmaceutical Formulations Containing Lipoic Acid Derivatives LIPA, LIPC, TTPA FOLH1 1432/4885GSTK1 2372/4885ENPEP 2178/4885
US-20080262077-A1 formulations containing lipoic acid derivatives are made. TTPA, LIPA, LIPC FOLH1 1694/4885GSTK1 1821/4885ENPEP 2402/4885

“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.

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