SCHEMBL29790901

SCHEMBL29790901

COP(=S)(OC)Oc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 11/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 2/20 0.49
THRB P10828 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PKM P14618 1/20 0.47
MAPT P10636 1/20 0.46
S1PR4 O95977 1/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 1/20 0.41
HPGD P15428 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
SCHEMBL1684281 1.00 CYP3A4 (0.50) CYP3A4TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL9324968 0.88 TSHR (0.47) CYP3A4TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL29776928 0.84 ALDH1A1 (0.52) CYP3A4TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL3428898 0.83 TSHR (0.51) CYP3A4TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL7775360 0.81 TSHR (0.56) CYP3A4TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4370481 0.80 ALDH1A1 (0.61) CYP3A4ALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL425259 0.79 TSHR (0.62) CYP3A4TSHRALDH1A1LMNAMAPK1
Lithium Ion SCHEMBL8330357 0.78 TSHR (0.53) CYP3A4TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL10907764 0.76 CYP3A4 (0.44) CYP3A4TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL11046676 0.76 ALDH1A1 (0.43) CYP3A4TSHRALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226160-A9 ACTIVITY-INDUCIBLE FUSION PROTEINS HAVING A HEAT SHOCK PROTEIN 90 BINDING DOMAIN SEATTLE CHILDREN'S HOSPITAL D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2024-07-11 US disclosed
US-20240131072-A1 ACTIVITY-INDUCIBLE FUSION PROTEINS HAVING A HEAT SHOCK PROTEIN 90 BINDING DOMAIN SEATTLE CHILDREN'S HOSPITAL D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2024-04-25 US disclosed
EP-4277731-A1 MEMBRANE FOR WATER FILTRATION Aquaporin A/S (DK) 2023-11-22 EP 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
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
WO-2022152748-A1 MEMBRANE FOR WATER FILTRATION AQUAPORIN A/S (DK) 2022-07-21 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-11649288-B2 Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents PHOSPHO1, LCAT, CD47 CYP3A4 4045/4885TSHR 1224/4885ALDH1A1 3262/4885
US-20230322925-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS PHOSPHO1, LCAT, CD47 CYP3A4 4045/4885TSHR 1224/4885ALDH1A1 3262/4885

“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.