SCHEMBL4099444

SCHEMBL4099444

CCOC(=O)CC(CP(=O)(O)CCBr)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCLC P48506 1/20 0.43
ALDH1A1 P00352 4/20 0.38
TRPA1 O75762 1/20 0.38
FOLH1 Q04609 2/20 0.38
TSHR P16473 2/20 0.37
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRM3 Q14832 2/20 0.36
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

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
SCHEMBL4099441 0.81 FOLH1 (0.39) GCLCALDH1A1TRPA1FOLH1TSHR
SCHEMBL28237270 0.78 GCLC (0.44) GCLCALDH1A1TRPA1TSHRCYP3A4
SCHEMBL6265890 0.75 MGAM (0.50) ALDH1A1TRPA1TSHRCYP3A4ALOX15
SCHEMBL8238419 0.73 ALDH1A1 (0.47) ALDH1A1TRPA1TSHRALOX15SMN1; SMN2
SCHEMBL8232913 0.72 ALDH1A1 (0.50) ALDH1A1TRPA1TSHRCYP3A4ALOX15
SCHEMBL1823767 0.71 MGAM (0.46) ALDH1A1TRPA1TSHRCYP3A4ALOX15
SCHEMBL4755497 0.71 MGAM (0.46) ALDH1A1TRPA1TSHRCYP3A4ALOX15
SCHEMBL1853675 0.70 MGAM (0.44) ALDH1A1TRPA1TSHRCYP3A4ALOX15
SCHEMBL7767241 0.70 MGAM (0.44) ALDH1A1TRPA1FOLH1TSHRCYP3A4
SCHEMBL13774891 0.69 CYP1A2 (0.46) ALDH1A1TRPA1TSHRCYP3A4ALOX15

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 GCLC 3726/4885ALDH1A1 2089/4885TRPA1 4625/4885

“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.