SCHEMBL14027320

SCHEMBL14027320

CC(=O)CCCCC(CCS)SCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ FOLH1 Q04609 1/20 0.39
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL10307799 0.89 MAPT (0.46) ALDH1A1FOLH1CYP2C19ATMSMN1; SMN2
SCHEMBL17381367 0.85 CYP2C19 (0.49) ALDH1A1PPARGPPARACYP2C19POLB
SCHEMBL15468643 0.84 FOLH1 (0.38) FOLH1PPARGPPARACYP2C19TRPA1
SCHEMBL22299026 0.84 CYP2C19 (0.48) ALDH1A1PPARGPPARACYP2C19TRPA1
SCHEMBL14027337 0.81 ALDH1A1 (0.38) ALDH1A1PPARGPPARACYP2C19TRPA1
SCHEMBL14027322 0.77 ALDH1A1 (0.40) ALDH1A1PPARGPPARACYP2C19TRPA1
SCHEMBL17973796 0.77 CYP2C19 (0.43) ALDH1A1CYP2C19POLBSMN1; SMN2
SCHEMBL16282701 0.77 ALDH1A1 (0.49) ALDH1A1CYP2C19TRPA1SMN1; SMN2TRPV1
SCHEMBL3713575 0.75 MAPT (0.47) ALDH1A1PPARGPPARACYP2C19ATM
SCHEMBL10454113 0.75 CYP2C19 (0.46) ALDH1A1FOLH1CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785475-B2 Lipoic acid derivatives CORNERSTONE PHARMACEUTICALS, INC. (US) 2014-07-22 — — US disclosed
US-20080262034-A1 selectively kill tumor cells by altering cancer cell metabolism and signal transduction pathways linked to the Warburg Effect; 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 (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-20080262034-A1 selectively kill tumor cells by altering cancer cell metabolism and signal transduction pathways linked to the Warburg Effect; DLD, SLC25A1, PDK2 ALDH1A1 745/4885FOLH1 1777/4885PPARG 512/4885

“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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