SCHEMBL3519174

SCHEMBL3519174

CCCCCCCCCCCC[Sn]CCCCCCCCCCCC.O=C(CCS)OCCS.O=C(CCS)OCCS

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.53
DNM1 Q05193 1/20 0.49
NAAA Q02083 1/20 0.44
HTR2C P28335 1/20 0.44
PAM P19021 2/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.38
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.37
DUSP3 P51452 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MGLL Q99685 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
SCHEMBL3518072 0.93 DGKA (0.47) DGKADNM1NAAAHTR2CPAM
SCHEMBL9068220 0.90 NAAA (0.53) DGKADNM1NAAAHTR2CPAM
SCHEMBL9247335 0.90 NAAA (0.53) DGKADNM1NAAAHTR2CPAM
SCHEMBL8621327 0.90 NAAA (0.53) DGKADNM1NAAAHTR2CPAM
SCHEMBL11879854 0.90 NAAA (0.53) DGKADNM1NAAAHTR2CPAM
SCHEMBL4365092 0.90 DGKA (0.62) DGKADNM1NAAAHTR2CPAM
SCHEMBL8937008 0.90 DGKA (0.62) DGKADNM1NAAAHTR2CPAM
SCHEMBL3518734 0.89 NAAA (0.46) DGKADNM1NAAAHTR2CPAM
SCHEMBL11878752 0.87 DGKA (0.47) DGKADNM1NAAAHTR2CPAM
SCHEMBL7719966 0.83 NAAA (0.43) DGKADNM1NAAAHTR2CPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190902-A1 ALKYLTIN SULFANYL ESTER THIOLS CHEMTURA CORPORATION (US) 2010-07-29 US claimed
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 DGKA 4070/4885DNM1 3213/4885NAAA 3654/4885

“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.