SCHEMBL2868539

SCHEMBL2868539

O=C(O)CCCCCCC(S)CS

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSTK1 Q9Y2Q3 2/20 0.64
ENPEP Q07075 5/20 0.59
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52
FOLH1 Q04609 2/20 0.50
FFAR4 Q5NUL3 2/20 0.47
FFAR1 O14842 2/20 0.47
ALDH1A1 P00352 1/20 0.46
GPR84 Q9NQS5 1/20 0.44
ANPEP P15144 2/20 0.43

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
SCHEMBL3012513 1.00 GSTK1 (0.64) GSTK1ENPEPLMNATSHRNFKB1
SCHEMBL6361383 1.00 GSTK1 (0.64) GSTK1ENPEPLMNATSHRNFKB1
SCHEMBL9253547 1.00 GSTK1 (0.64) GSTK1ENPEPLMNATSHRNFKB1
SCHEMBL994189 0.98 GSTK1 (0.63) GSTK1ENPEPLMNATSHRNFKB1
SCHEMBL3018158 0.91 ENPEP (0.59) GSTK1ENPEPLMNATSHRNFKB1
SCHEMBL15956044 0.89 TSHR (0.60) GSTK1ENPEPLMNATSHRNFKB1
SCHEMBL21611884 0.85 GSTK1 (0.57) GSTK1ENPEPLMNATSHRNFKB1
SCHEMBL6809842 0.85 GSTK1 (0.57) GSTK1ENPEPLMNATSHRNFKB1
SCHEMBL18422675 0.85 FOLH1 (0.60) GSTK1ENPEPLMNATSHRNFKB1
SCHEMBL6805309 0.85 GSTK1 (0.57) GSTK1ENPEPLMNATSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1570835-B1 Composition for the permanent deformation of the hair comprising at least one carboxydithiol OREAL (FR) 2010-10-20 EP claimed
US-20050208007-A1 Composition to permanently reshape the hair containing at least one carboxydithiol L'OREAL S.A. (FR) 2005-09-22 US claimed
US-20050208007-A1 Composition to permanently reshape the hair containing at least one carboxydithiol L'OREAL S.A. (FR) 2005-09-22 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-20050208007-A1 Composition to permanently reshape the hair containing at least one carboxydithiol CTH, BHMT2, CRAT GSTK1 1598/4885ENPEP 564/4885LMNA 3481/4885

“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.