SCHEMBL4198053

SCHEMBL4198053

O=[N+]([O-])c1ccccc1CS

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
TSHR P16473 1/20 0.64
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
ACHE P22303 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH3A1 P30838 1/20 0.45

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
SCHEMBL2880002 0.85 ALDH1A1 (0.62) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL3202573 0.84 ALDH1A1 (0.72) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL301933 0.82 ALDH1A1 (0.69) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL14363082 0.80 TDP1 (0.64) ALDH1A1TSHRHPGDHSD17B10L3MBTL1
Ammonia Solution, Strong SCHEMBL10338964 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL29437308 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL1150551 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL124981 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL8867793 0.79 ALDH1A1 (0.60) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL3937020 0.79 ALDH1A1 (0.55) ALDH1A1TSHRHPGDHTTHSD17B10

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 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613769-A Photo-crosslinked hydrogel, preparation method and application thereof, radionuclide preparation and application 上海交通大学 2025-03-14 CN claimed
US-12247089-B2 Photo-coupled synergistically crosslinked hydrogel material and its composition, preparation method, use, product, and preparation kit Zhongshan Guanghe Medical Technology Co., Ltd. (CN) 2025-03-11 US claimed
CN-117801754-A Water-based adhesive, preparation method thereof and electrode plate 广州鹿山新材料股份有限公司 2024-04-02 CN claimed
CN-116377720-B Thermochromic waterproof fabric and preparation method thereof 江苏瑞洋安泰新材料科技有限公司 2023-10-17 CN claimed
CN-114806275-B Printing ink, display panel and preparation method thereof 深圳市华星光电半导体显示技术有限公司 2023-05-30 CN claimed
CN-114806275-A Printing ink, display panel and preparation method thereof 深圳市华星光电半导体显示技术有限公司 2022-07-29 CN claimed
CN-112062699-B Preparation method of o-aminothiophenol 苏州开元民生科技股份有限公司 2021-02-26 CN claimed
CN-112266367-A Preparation, raw material, product and application of photo-crosslinking hydrogel material 中山光禾医疗科技有限公司 2021-01-26 CN claimed
CN-112062699-A Preparation method of o-aminothiophenol 苏州开元民生科技股份有限公司 2020-12-11 CN claimed
CN-109776451-B Preparation, raw material, product and application of photo-crosslinking hydrogel material 中山光禾医疗科技有限公司 2020-12-11 CN claimed
US-20200262939-A1 PHOTO-COUPLED SYNERGISTICALLY CROSSLINKED HYDROGEL MATERIAL AND ITS COMPOSITION, PREPARATION METHOD, USE, PRODUCT, AND PREPARATION KIT Zhongshan Guanghe Medical Technology Co., Ltd. (CN) 2020-08-20 US claimed
CN-119613769-B Photo-crosslinked hydrogel, preparation method and application thereof, radionuclide preparation and application 上海交通大学 2025-10-17 CN disclosed
CN-119613769-A Photo-crosslinked hydrogel, preparation method and application thereof, radionuclide preparation and application 上海交通大学 2025-03-14 CN disclosed
CN-119613769-A Photo-crosslinked hydrogel, preparation method and application thereof, radionuclide preparation and application 上海交通大学 2025-03-14 CN disclosed
US-12247089-B2 Photo-coupled synergistically crosslinked hydrogel material and its composition, preparation method, use, product, and preparation kit Zhongshan Guanghe Medical Technology Co., Ltd. (CN) 2025-03-11 US disclosed
EP-0017992-A1 2-Substituted-6-substituted-1-carbadethiapen-2-em-3-carboxylic acids, processes for preparing them, antibiotic pharmaceutical compositions containing same and process for preparing intermediates MERCK & CO. INC. (US) 1980-10-29 EP disclosed
US-4218463-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-08-19 US disclosed
EP-0010317-A1 6-, 1- and 2-substituted-1-carbapen-2-em-3-carboxylic acids, processes for the preparation of such compounds and pharmaceutical composition comprising such compounds MERCK & CO. INC. (US) 1980-04-30 EP disclosed
EP-0001628-A1 3-Substituted-6-substituted-7-oxo-1-azabicyclo (3.2.0)-hept-2-ene-2-carboxylic acid, its preparation and pharmaceutical compositions containing it MERCK & CO. INC. (US) 1979-05-02 EP disclosed
EP-0001627-A1 3-Substituted-6-(1'hydroxethyl)-7-oxo-1-azabicyclo(3.2.0.)-hept-2-ene-2-carboxylic acid, its preparation and pharmaceutical compositions containing it MERCK & CO. INC. (US) 1979-05-02 EP 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-12247089-B2 Photo-coupled synergistically crosslinked hydrogel material and its composition, preparation method, use, product, and preparation kit PKN3, JAK3, KIT ALDH1A1 92/4885TSHR 3722/4885HPGD 227/4885
US-20200262939-A1 PHOTO-COUPLED SYNERGISTICALLY CROSSLINKED HYDROGEL MATERIAL AND ITS COMPOSITION, PREPARATION METHOD, USE, PRODUCT, AND PREPARATION KIT PKN3, JAK3, KIT ALDH1A1 92/4885TSHR 3722/4885HPGD 227/4885

“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.