SCHEMBL2868536

SCHEMBL2868536

O=C(CCCCCS)OCCCS

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.54
DNM1 Q05193 1/20 0.48
FOLH1 Q04609 1/20 0.46
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
PAM P19021 2/20 0.39
HTR2C P28335 1/20 0.39
NAAA Q02083 1/20 0.39
TSHR P16473 2/20 0.37
MAPT P10636 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL11357831 0.98 DGKA (0.56) DGKADNM1FOLH1PRSS1PRSS2
SCHEMBL3516020 0.98 DGKA (0.50) DGKADNM1FOLH1PRSS1PRSS2
SCHEMBL3521469 0.95 DGKA (0.54) DGKADNM1FOLH1PRSS1PRSS2
SCHEMBL5342062 0.95 DGKA (0.54) DGKADNM1FOLH1PRSS1PRSS2
SCHEMBL11356292 0.95 DGKA (0.54) DGKADNM1FOLH1PRSS1PRSS2
SCHEMBL14336959 0.95 DGKA (0.54) DGKADNM1FOLH1PRSS1PRSS2
SCHEMBL11352492 0.95 DGKA (0.52) DGKADNM1FOLH1PRSS1PRSS2
SCHEMBL3517120 0.93 DGKA (0.50) DGKADNM1FOLH1PRSS1PRSS2
SCHEMBL3517927 0.91 DGKA (0.48) DGKADNM1FOLH1PRSS1PRSS2
SCHEMBL9565022 0.91 DGKA (0.54) DGKADNM1FOLH1PRSS1PRSS2

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 DGKA 3121/4885DNM1 3086/4885FOLH1 68/4885

“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.