SCHEMBL3520057

SCHEMBL3520057

O=C(CCS)OCCCCCS

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
DGKA P23743 1/20 0.43
HTR2C P28335 1/20 0.43
FOLH1 Q04609 2/20 0.41
DNM1 Q05193 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
RAD52 P43351 1/20 0.37

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
SCHEMBL3516908 0.98 FOLH1 (0.42) NAAADGKAHTR2CFOLH1DNM1
SCHEMBL6599291 0.95 NAAA (0.46) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL98896 0.95 NAAA (0.46) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL98181 0.95 NAAA (0.46) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL6603463 0.95 NAAA (0.46) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL98936 0.95 NAAA (0.46) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL6602344 0.95 NAAA (0.46) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL97503 0.93 NAAA (0.43) NAAADGKAHTR2CFOLH1DNM1
SCHEMBL5342062 0.91 DGKA (0.54) NAAADGKAHTR2CFOLH1DNM1
SCHEMBL3517927 0.91 DGKA (0.48) NAAADGKAHTR2CFOLH1DNM1

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 NAAA 3654/4885DGKA 4070/4885HTR2C 4088/4885

“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.