SCHEMBL3397041

SCHEMBL3397041

O=[N+]([O-])c1ccccc1CCSCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
TSHR P16473 1/20 0.60
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
RECQL P46063 1/20 0.44
ACHE P22303 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5584032 0.89 ALDH1A1 (0.58) ALDH1A1TSHRHPGDHTTL3MBTL1
SCHEMBL5584033 0.88 ALDH1A1 (0.51) ALDH1A1TSHRHPGDHTTSIGMAR1
SCHEMBL3202573 0.85 ALDH1A1 (0.72) ALDH1A1TSHRHPGDHTTSIGMAR1
SCHEMBL7259696 0.85 ALDH1A1 (0.61) ALDH1A1TSHRHPGDHTTSIGMAR1
SCHEMBL10628398 0.85 ALDH1A1 (0.49) ALDH1A1TSHRHPGDHTTSIGMAR1
SCHEMBL10630401 0.85 ALDH1A1 (0.56) ALDH1A1TSHRHPGDHTTSIGMAR1
SCHEMBL28098859 0.83 ALDH1A1 (0.55) ALDH1A1TSHRHPGDHTTSIGMAR1
SCHEMBL6856779 0.82 ALDH1A1 (0.62) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL31481622 0.82 ALDH1A1 (0.62) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL11022826 0.80 ALDH1A1 (0.51) ALDH1A1TSHRHPGDHTTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008013427-A1 ORGANIC TFTS AND METHOD FOR FABRICATING THE SAME LG CHEM, LTD. (KR) 2008-01-31 WO claimed
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
EP-2158254-A1 POLY(ORGANOPHOSPHAZENE) HYDROGELS FOR DRUG DELIVERY, PREPARATION METHOD THEREOF AND USE THEREOF Korea Institute of Science and Technology (KR) 2010-03-03 EP disclosed
WO-2008153277-A1 POLY(ORGANOPHOSPHAZENE) HYDROGELS FOR DRUG DELIVERY, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-12-18 WO disclosed
WO-2008013427-A1 ORGANIC TFTS AND METHOD FOR FABRICATING THE SAME LG CHEM, LTD. (KR) 2008-01-31 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 (2 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-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 ALDH1A1 1582/4885TSHR 1973/4885HPGD 549/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 ALDH1A1 1582/4885TSHR 1973/4885HPGD 549/4885

“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.