SCHEMBL3516908

SCHEMBL3516908

O=C(CCS)OCCCCS

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.42
NAAA Q02083 1/20 0.40
DGKA P23743 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
DNM1 Q05193 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 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
SCHEMBL3520057 0.98 NAAA (0.43) FOLH1NAAADGKAHTR2CADRA2A
SCHEMBL97503 0.95 NAAA (0.43) FOLH1NAAADGKAHTR2CADRA2A
SCHEMBL6602344 0.93 NAAA (0.46) NAAADGKAHTR2CADRA2AADRA1A
SCHEMBL98181 0.93 NAAA (0.46) NAAADGKAHTR2CADRA2AADRA1A
SCHEMBL3516269 0.93 DGKA (0.41) FOLH1NAAADGKAHTR2CADRA2A
SCHEMBL98936 0.93 NAAA (0.46) NAAADGKAHTR2CADRA2AADRA1A
SCHEMBL6603463 0.93 NAAA (0.46) NAAADGKAHTR2CADRA2AADRA1A
SCHEMBL6599291 0.93 NAAA (0.46) NAAADGKAHTR2CADRA2AADRA1A
SCHEMBL98896 0.93 NAAA (0.46) NAAADGKAHTR2CADRA2AADRA1A
SCHEMBL10887322 0.93 HTR2C (0.46) FOLH1NAAADGKAHTR2CADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190902-A1 ALKYLTIN SULFANYL ESTER THIOLS CHEMTURA CORPORATION (US) 2010-07-29 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-20100190902-A1 ALKYLTIN SULFANYL ESTER THIOLS SULT1E1, SULT1A1, TST FOLH1 4882/4885NAAA 3654/4885DGKA 4070/4885

“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.