SCHEMBL4094784

SCHEMBL4094784

COC(=O)[C@H](CCO[PH](=O)C(O)c1cc(OC)c(O)c([N+](=O)[O-])c1)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
MCL1 Q07820 1/20 0.47
GSTP1 P09211 1/20 0.43
GSTM2 P28161 1/20 0.43
GRM8 O00222 3/20 0.40
GRM4 Q14833 3/20 0.40
GRM6 O15303 2/20 0.40
GRM7 Q14831 2/20 0.40
KYNU Q16719 1/20 0.39
CTSL P07711 6/20 0.38
CTSB P07858 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37

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
SCHEMBL4097234 0.88 GSTP1 (0.45) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4094926 0.86 CTSL (0.44) ALDH1A1GSTP1GSTM2KYNUCTSL
SCHEMBL4096707 0.85 GSTP1 (0.44) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4088783 0.85 GSTP1 (0.44) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4089300 0.84 GSTP1 (0.46) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4084378 0.83 CTSL (0.48) ALDH1A1GSTP1GSTM2KYNUCTSL
SCHEMBL4100004 0.83 GSTP1 (0.48) ALDH1A1GSTP1GSTM2KYNUCTSL
SCHEMBL4089580 0.82 GSTP1 (0.45) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL10000467 0.82 GRM8 (0.61) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4084706 0.81 GSTP1 (0.45) ALDH1A1GSTP1GSTM2KYNUCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 US disclosed
EP-1937699-A2 HYPOPHOSPHOROUS ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-07-02 EP disclosed
WO-2007052169-A2 HYPOPHOSPHOROUS ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-05-10 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 (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-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications P4HA1, CYP2R1, EGLN3 ALDH1A1 2089/4885MEN1 1312/4885KMT2A 4135/4885

“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.