SCHEMBL4096707

SCHEMBL4096707

COC(=O)[C@H](CCO[PH](=O)C(O)c1ccc(Cl)c([N+](=O)[O-])c1)NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.44
GSTM2 P28161 1/20 0.44
CTSL P07711 10/20 0.41
CTSB P07858 8/20 0.41
KYNU Q16719 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38

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 0.91 GSTP1 (0.45) GSTP1GSTM2CTSLCTSBKYNU
SCHEMBL4089580 0.86 GSTP1 (0.45) GSTP1GSTM2CTSLCTSBKYNU
SCHEMBL4084378 0.86 CTSL (0.48) GSTP1GSTM2CTSLCTSBKYNU
SCHEMBL4094926 0.85 CTSL (0.44) GSTP1GSTM2CTSLCTSBKYNU
SCHEMBL4094784 0.85 ALDH1A1 (0.47) GSTP1GSTM2CTSLCTSBKYNU
SCHEMBL4100004 0.85 GSTP1 (0.48) GSTP1GSTM2CTSLCTSBKYNU
SCHEMBL4085026 0.84 GSTP1 (0.42) GSTP1GSTM2CTSLMEN1MAPT
SCHEMBL4084706 0.83 GSTP1 (0.45) GSTP1GSTM2CTSLCTSBKYNU
SCHEMBL4089300 0.82 GSTP1 (0.46) GSTP1GSTM2CTSLCTSBKYNU
SCHEMBL4088783 0.81 GSTP1 (0.44) GSTP1GSTM2CTSLCTSBKYNU

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 GSTP1 3453/4885GSTM2 2418/4885CTSL 1942/4885

“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.