SCHEMBL3520306

SCHEMBL3520306

O=C(CS)OCCCCS

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.41
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
FOLH1 Q04609 1/20 0.39
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
FAAH O00519 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
SCHEMBL3518739 0.98 NAAA (0.45) NAAATSHRHSD17B10FOLH1HDAC3
SCHEMBL9564820 0.98 NAAA (0.45) NAAATSHRHSD17B10FOLH1HDAC3
SCHEMBL9564904 0.98 NAAA (0.45) NAAATSHRHSD17B10FOLH1HDAC3
SCHEMBL28799878 0.98 NAAA (0.45) NAAATSHRHSD17B10FOLH1HDAC3
SCHEMBL11363139 0.98 NAAA (0.45) NAAATSHRHSD17B10FOLH1HDAC3
SCHEMBL3515564 0.92
SCHEMBL60931 0.92 NAAA (0.46) NAAATSHRHSD17B10RAD52NPSR1
Methane SCHEMBL28322364 0.90 TSHR (0.40) NAAATSHRHSD17B10FOLH1RAD52
SCHEMBL11235417 0.90 NAAA (0.50) NAAATSHRHSD17B10RAD52NPSR1
SCHEMBL97045 0.90 NAAA (0.50) NAAATSHRHSD17B10RAD52NPSR1

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 3654/4885TSHR 718/4885HSD17B10 2917/4885

“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.