SCHEMBL4454861

SCHEMBL4454861

CC(C)N(CCO[P@](C)(=O)S)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LTA4H P09960 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MCHR1 Q99705 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL3988371 1.00 MEN1 (0.34) MEN1KMT2ALTA4HESR1ESR2
SCHEMBL2786926 0.86 MEN1 (0.31) MEN1KMT2A
SCHEMBL28992248 0.77 MEN1 (0.36) MEN1KMT2ALTA4HESR1ESR2
SCHEMBL27256342 0.77 LPAR3 (0.42) MEN1KMT2AESR1ESR2CHRM2
SCHEMBL14346017 0.76 MEN1 (0.32) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL14346014 0.76 MEN1 (0.32) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL14346049 0.76 MEN1 (0.32) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL7159583 0.76 TSHR (0.34) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL5176752 0.76 CHRM2 (0.37) LTA4HCHRM2CHRM1CHRM3CHRNB2
SCHEMBL28992249 0.73 CHRM2 (0.34) MEN1KMT2ALTA4HESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230172895-A1 METHODS OF TREATING OR PREVENTING ORGANOPHOSPHORUS POISONING LACHESIS BIOSCIENCES LIMITED (AU) 2023-06-08 US claimed
US-20230172895-A1 METHODS OF TREATING OR PREVENTING ORGANOPHOSPHORUS POISONING LACHESIS BIOSCIENCES LIMITED (AU) 2023-06-08 US disclosed
US-9132135-B2 Method of treating organophosphorous poisoning UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-09-15 US disclosed
US-20090023706-A1 Method of Treating Organophosphorous Poisoning UNIVERSITY OF MARYLAND BALTIMORE (US) 2009-01-22 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-20230172895-A1 METHODS OF TREATING OR PREVENTING ORGANOPHOSPHORUS POISONING ACHE, BCHE, CHRM3 MEN1 600/4885KMT2A 1020/4885LTA4H 486/4885
US-20090023706-A1 Method of Treating Organophosphorous Poisoning ACHE, BCHE, GALC MEN1 2226/4885KMT2A 1581/4885LTA4H 706/4885

“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.