SCHEMBL3428898

SCHEMBL3428898

Cc1ccc([N+](=O)[O-])c(OP(O)(O)=S)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 8/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 4/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
S1PR4 O95977 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 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
SCHEMBL10907764 0.83 CYP3A4 (0.44) TSHRCYP3A4L3MBTL1ALDH1A1KMT2A
SCHEMBL29790901 0.83 CYP3A4 (0.50) TSHRCYP3A4L3MBTL1ALDH1A1KMT2A
SCHEMBL1684281 0.83 CYP3A4 (0.50) TSHRCYP3A4L3MBTL1ALDH1A1KMT2A
SCHEMBL7775360 0.82 TSHR (0.56) TSHRCYP3A4L3MBTL1ALDH1A1KMT2A
SCHEMBL9324968 0.81 TSHR (0.47) TSHRCYP3A4L3MBTL1ALDH1A1KMT2A
SCHEMBL29776928 0.80 ALDH1A1 (0.52) TSHRCYP3A4L3MBTL1ALDH1A1KMT2A
SCHEMBL7775199 0.80 TSHR (0.46) TSHRCYP3A4L3MBTL1ALDH1A1KMT2A
Lithium Ion SCHEMBL8330357 0.79 TSHR (0.53) TSHRCYP3A4L3MBTL1ALDH1A1KMT2A
SCHEMBL4300858 0.77 ALDH1A1 (0.55) L3MBTL1ALDH1A1KMT2ALMNAMEN1
SCHEMBL4300852 0.77 ALDH1A1 (0.55) L3MBTL1ALDH1A1KMT2ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
US-20200087399-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS Seattle Children's Hospital (dba Seattle Children's Research Institute) 2020-03-19 US disclosed
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 disclosed
US-9420780-B2 Composition, method for producing the composition, and phytosanitary formulation containing same RHODIA OPERATIONS (FR) 2016-08-23 US disclosed
US-20140256554-A1 COMPOSITION, METHOD FOR PRODUCING THE COMPOSITION, AND PHYTOSANITARY FORMULATION CONTAINING SAME RHODIA OPERATIONS (FR) 2014-09-11 US disclosed
US-7642379-B2 Aminoacetonitrile derivatives and their use for controlling parasites on warm-blooded animals NOVARTIS AG (CH) 2010-01-05 US disclosed
US-7446219-B2 N-acylaminoacetonitrile derivatives and their use for controlling parasites NOVARTIS ANIMAL HEALTH US INC. (US) 2008-11-04 US disclosed
EP-1470103-A1 AMIDOACETONITRILE DERIVATIVES Novartis AG (CH) 2004-10-27 EP disclosed
EP-1456170-A1 AMINOACETONITRILE DERIVATIVES AND THEIR USE FOR CONTROLLING PARASITES Novartis AG (CH) 2004-09-15 EP disclosed
WO-2003097036-A1 N-ACYLAMINOACETONITRILE DERIVATIVES AND THEIR USE FOR CONTROLLING PARASITES NOVARTIS AG (CH) 2003-11-27 WO disclosed
WO-2003080577-A2 AMIDOACETONITRILE COMPOUNDS NOVARTIS AG (CH) 2003-10-02 WO disclosed
WO-2003059868-A1 AMIDOACETONITRILE DERIVATIVES NOVARTIS AG (CH) 2003-07-24 WO disclosed
WO-2003048112-A1 AMINOACETONITRILE DERIVATIVES AND THEIR USE FOR CONTROLLING PARASITES NOVARTIS AG (CH) 2003-06-12 WO disclosed
EP-0900024-A1 PESTICIDAL COMPOSITIONS Novartis AG (CH) 1999-03-10 EP disclosed
WO-1997040692-A1 PESTICIDAL COMPOSITIONS NOVARTIS AG (CH) 1997-11-06 WO disclosed
EP-0427991-B1 Improved pesticidal composition SUMITOMO CHEMICAL CO (JP) 1997-09-17 EP disclosed
US-5178872-A PESTICIDAL COMPOSITION CONTAINING A MICROENCAPSULATED ORGANO-PHOSPHORUS OR CARBAMATE IN A PYRETHROID DISPERSION SUMITOMO CHEMICAL CO., LTD. (JP) 1993-01-12 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 (4 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-20140256554-A1 COMPOSITION, METHOD FOR PRODUCING THE COMPOSITION, AND PHYTOSANITARY FORMULATION CONTAINING SAME C1R, CNR2, SRR TSHR 2975/4885CYP3A4 330/4885L3MBTL1 4672/4885
US-11649288-B2 Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents PHOSPHO1, LCAT, CD47 TSHR 1224/4885CYP3A4 4045/4885L3MBTL1 1070/4885
US-20230322925-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS PHOSPHO1, LCAT, CD47 TSHR 1224/4885CYP3A4 4045/4885L3MBTL1 1070/4885
US-20200087399-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS PHOSPHO1, LCAT, CD47 TSHR 1224/4885CYP3A4 4045/4885L3MBTL1 1070/4885

“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.