SCHEMBL2053300

SCHEMBL2053300

C=CCOC(=O)CCSSCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.35
ABCC4 O15439 1/20 0.35
CYP3A4 P08684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX2 P34913 1/20 0.34
CASP1 P29466 3/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FOLH1 Q04609 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL21768538 0.94 TSHR (0.53) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL5495599 0.91 TDP1 (0.52) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL11500201 0.87 TSHR (0.47) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL90430 0.84 TSHR (0.55) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL31122207 0.82 TSHR (0.59) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL19899858 0.82 TSHR (0.47) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL19899967 0.82 TSHR (0.47) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL6997281 0.82 TSHR (0.53) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL18921054 0.82 TSHR (0.53) TSHRPKMSMN1; SMN2ALDH1A1GAA
Hydrochloric Acid SCHEMBL10749496 0.82 TSHR (0.53) TSHRPKMSMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120330061-A1 PREPARATION METHOD OF N,N'-DIALKYL-3,3'-DITHIODIPROPIONAMIDE SK CHEMICALS CO., LTD. (KR) 2012-12-27 US disclosed
CN-102791685-A Method for preparing N,N'-dialkyl-3,3'-dithiodipropionamides SK CHEMICALS CO LTD 2012-11-21 CN disclosed
WO-2011074815-A3 METHOD FOR PREPARING N,N'-DIALKYL-3,3'-DITHIODIPROPIONAMIDES 에스케이케미칼주식회사 (KR) 2011-11-03 WO disclosed
WO-2011074815-A2 METHOD FOR PREPARING N,N'-DIALKYL-3,3'-DITHIODIPROPIONAMIDES 에스케이케미칼주식회사 (KR) 2011-06-23 WO 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-20120330061-A1 PREPARATION METHOD OF N,N'-DIALKYL-3,3'-DITHIODIPROPIONAMIDE NAPEPLD, NAAA, NISCH TSHR 1780/4885PKM 2760/4885SMN1; SMN2 3357/4885

“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.