SCHEMBL3515561

SCHEMBL3515561

O=C(CCCS)OCCCCS

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.45
FOLH1 Q04609 1/20 0.42
DNM1 Q05193 1/20 0.41
NAAA Q02083 1/20 0.40
HTR2C P28335 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
EPHX2 P34913 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL3517927 0.98 DGKA (0.48) DGKAFOLH1DNM1NAAAHTR2C
SCHEMBL30517203 0.98 DGKA (0.46) DGKAFOLH1DNM1NAAAHTR2C
SCHEMBL11677087 0.95 DGKA (0.50) DGKAFOLH1DNM1NAAAHTR2C
SCHEMBL3517120 0.95 DGKA (0.50) DGKAFOLH1DNM1NAAAHTR2C
SCHEMBL5342062 0.93 DGKA (0.54) DGKAFOLH1DNM1NAAAHTR2C
SCHEMBL14336959 0.93 DGKA (0.54) DGKAFOLH1DNM1NAAAHTR2C
SCHEMBL3521469 0.93 DGKA (0.54) DGKAFOLH1DNM1NAAAHTR2C
SCHEMBL11356292 0.93 DGKA (0.54) DGKAFOLH1DNM1NAAAHTR2C
SCHEMBL3517280 0.93 DGKA (0.46) DGKAFOLH1DNM1NAAAHTR2C
SCHEMBL10887322 0.93 HTR2C (0.46) DGKAFOLH1DNM1NAAAHTR2C

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
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-20100190902-A1 ALKYLTIN SULFANYL ESTER THIOLS CHEMTURA CORPORATION (US) 2010-07-29 US disclosed
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 (2 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-20100190902-A1 ALKYLTIN SULFANYL ESTER THIOLS SULT1E1, SULT1A1, TST DGKA 4070/4885FOLH1 4882/4885DNM1 3213/4885
US-20050208007-A1 Composition to permanently reshape the hair containing at least one carboxydithiol CTH, BHMT2, CRAT DGKA 3121/4885FOLH1 68/4885DNM1 3086/4885

“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.