SCHEMBL2544869

SCHEMBL2544869

[O-][S+](Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
TDP1 Q9NUW8 5/20 0.45
HSD17B10 Q99714 3/20 0.45
CTSD P07339 1/20 0.45
TSHR P16473 3/20 0.43
PTGS2 P35354 2/20 0.43
ALOX12 P18054 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALOX15 P16050 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR2B P41595 1/20 0.43
CYP3A4 P08684 3/20 0.41
IDO1 P14902 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL8278235 0.78 TDP1 (0.43) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL7294193 0.78 TSHR (0.43) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL20124844 0.78 ALDH1A1 (0.41) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL21034656 0.78 ALDH1A1 (0.41) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL5549485 0.76 ALDH1A1 (0.39) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL8426023 0.72 ALDH1A1 (0.36) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL21326414 0.72 ALDH1A1 (0.36) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL8757357 0.71 TSHR (0.48) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL11059719 0.69 TDP1 (0.33) ALDH1A1TDP1HSD17B10CTSDTSHR
Hydrochloric Acid SCHEMBL9003482 0.69 TSHR (0.46) ALDH1A1TDP1HSD17B10CTSDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560634-A1 NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS Piramal Enterprises Limited (IN) 2013-02-27 EP claimed
WO-2011132171-A1 NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-10-27 WO claimed
US-20110263526-A1 Nitric Oxide Releasing Prodrugs of Therapeutic Agents PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-10-27 US claimed
EP-4404974-A1 ANTIBODY-DRUG CONJUGATES Spirea Limited (GB) 2024-07-31 EP disclosed
WO-2023218243-A1 LAG-3/PD-L1 BINDING FUSION PROTEINS AVACTA LIFE SCIENCES LIMITED (GB) 2023-11-16 WO disclosed
WO-2023047090-A1 ANTIBODY-DRUG CONJUGATES SPIREA LIMITED (GB) 2023-03-30 WO disclosed
CN-115666653-A Antibody-drug conjugates 斯皮雷亚有限公司 2023-01-31 CN disclosed
CN-112204047-A PD-L1 binding adhesins and uses related thereto 阿瓦克塔生命科学有限公司 2021-01-08 CN disclosed
CN-105307687-A Multimodal silica-based nanoparticles SLOAN KETTERING INST CANCER 2016-02-03 CN disclosed
CN-102245214-B Biodegradable polymer-bioactive moiety conjugates POLYACTIVA PTY LTD. (AU) 2014-10-29 CN disclosed
EP-2560634-A1 NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS Piramal Enterprises Limited (IN) 2013-02-27 EP disclosed
WO-2011132171-A1 NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-10-27 WO disclosed
US-20110263526-A1 Nitric Oxide Releasing Prodrugs of Therapeutic Agents PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-10-27 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
US-4404069-A Electrolytic desulfurization of anilino sulfur compounds MONSANTO COMPANY (US) 1983-09-13 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-20110263526-A1 Nitric Oxide Releasing Prodrugs of Therapeutic Agents NOS2, NOS1, NOS3 ALDH1A1 204/4885TDP1 1017/4885HSD17B10 1049/4885

“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.