SCHEMBL955844

SCHEMBL955844

O=[N+]([O-])c1ccc(OP(O)(O)=S)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.70
CA2 P00918 3/20 0.70
CES1 P23141 2/20 0.70
CES2 O00748 1/20 0.70
ALDH1A1 P00352 3/20 0.64
MAPK1 P28482 3/20 0.64
CYP3A4 P08684 2/20 0.64
HSD17B10 Q99714 2/20 0.64
LMNA P02545 1/20 0.64
TP53 P04637 1/20 0.64
THRB P10828 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TSHR P16473 1/20 0.58
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
GAA P10253 1/20 0.50
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47

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
SCHEMBL28841894 0.85 CA1 (0.66) CA1CA2CES1CES2ALDH1A1
SCHEMBL5164301 0.85 CA1 (0.66) CA1CA2CES1CES2ALDH1A1
SCHEMBL8837359 0.84 ALDH1A1 (0.79) CA1CA2CES1CES2ALDH1A1
P-Nitrophenylphosphate SCHEMBL28027358 0.82 CA1 (1.00) CA1CA2CES1CES2ALDH1A1
SCHEMBL223704 0.82 CES1 (1.00) CA1CA2CES1CES2ALDH1A1
P-Nitrophenylphosphate SCHEMBL35320 0.82 CA1 (1.00) CA1CA2CES1CES2ALDH1A1
SCHEMBL1901209 0.82 CA1 (0.62) CA1CA2CES1CES2ALDH1A1
SCHEMBL28160072 0.82 MAPK1 (0.57) CA1CA2CES1CES2ALDH1A1
Methane SCHEMBL11686999 0.81 CES2 (0.60) CA1CA2CES1CES2ALDH1A1
SCHEMBL27763951 0.81 CA1 (0.60) CA1CA2CES1CES2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082394-A Synthesis method of tri (4-aminophenyl) thiophosphate 杭州布朗生物医药科技有限公司 2023-05-09 CN claimed
CN-110612119-A Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2019-12-24 CN claimed
WO-2018148224-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS Seattle Children's Hospital (dba Seattle Children's Research Institute) (US) 2018-08-16 WO claimed
EP-0765120-A1 SYNERGISTIC COMPOSITION Novartis AG (CH) 1997-04-02 EP claimed
EP-0736252-A2 Synergistic compositions with diafenthiuron CIBA-GEIGY AG (CH) 1996-10-09 EP claimed
WO-1995033380-A1 SYNERGISTIC COMPOSITION CIBA-GEIGY AG (CH) 1995-12-14 WO claimed
WO-1993022909-A1 INSECT TRAP CIBA-GEIGY AG (CH) 1993-11-25 WO claimed
EP-0022141-B2 COMPOSITIONS AND METHODS FOR REDUCING HERBICIDAL INJURY MONSANTO COMPANY (US) 1987-12-02 EP claimed
US-4285720-A Encapsulation process and capsules produced thereby STAUFFER CHEMICAL COMPANY (US) 1981-08-25 US claimed
US-4140516-A Encapsulation process employing phase transfer catalysts STAUFFER CHEMICAL COMPANY (US) 1979-02-20 US claimed
US-20240058768-A1 MEMBRANE FOR WATER FILTRATION AQUAPORIN A/S (DK) 2024-02-22 US disclosed
US-20230322925-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS SEATTLE CHILDREN’S HOSPITAL DBA SEATTLE CHILDREN’S RES INSTITUTE (US) 2023-10-12 US disclosed
CN-116745025-A membrane for water filtration 水通道蛋白有限公司 2023-09-12 CN disclosed
US-20230172981-A1 METHODS AND COMPOSITIONS FOR STIMULATION OF CHIMERIC ANTIGEN RECEPTOR T CELLS WITH HAPTEN LABELLED CELLS SEATTLE CHILDRENS HOSPITAL DBA SEATTLE CHILDRENS RES INST (US) 2023-06-08 US disclosed
US-11649288-B2 Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents SEATTLE CHILDREN'S HOSPITAL (US) 2023-05-16 US disclosed
EP-0001753-B1 THIOPHOSPHORIC(PHOSPHONIC) ACID ESTERS, PROCESS FOR THEIR PREPARATION AND USE AS PESTICIDES BASF Aktiengesellschaft (DE) 1980-12-10 EP disclosed
US-4140516-A Encapsulation process employing phase transfer catalysts STAUFFER CHEMICAL COMPANY (US) 1979-02-20 US disclosed
US-4073896-A Insecticide from dimethylmuconic acid SUN VENTURES, INC. (US) 1978-02-14 US disclosed
US-4058605-A Insecticides from dimethylmuconic acid SUN VENTURES, INC. (US) 1977-11-15 US disclosed
US-3761589-A PESTICIDAL PHOSPHOROTHIOATE COMPOSITIONS AND METHODS OF PREPARING THEM BALCHEM CORP 1973-09-25 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 (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-11649288-B2 Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents PHOSPHO1, LCAT, CD47 CA1 636/4885CA2 1735/4885CES1 527/4885
US-20230322925-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS PHOSPHO1, LCAT, CD47 CA1 636/4885CA2 1735/4885CES1 527/4885

“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.