SCHEMBL56607

SCHEMBL56607

O=CN(OCc1ccccc1)C(CCP(=O)(O)O)C(=O)O.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.38
TSHR P16473 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
CETP P11597 3/20 0.36
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
ANPEP P15144 2/20 0.35
ERAP1 Q9NZ08 2/20 0.35
ERAP2 Q6P179 1/20 0.35
SRC P12931 1/20 0.34

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
SCHEMBL57730 0.99 FOLH1 (0.39) FOLH1TSHRS1PR2S1PR4S1PR1
SCHEMBL56433 0.89 ALDH1A1 (0.37) FOLH1TSHRS1PR2S1PR4S1PR1
SCHEMBL6955548 0.82 FOLH1 (0.46) FOLH1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7515528 0.81 SLC1A3 (0.38) FOLH1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL10686536 0.80 CYP1A2 (0.43) FOLH1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL8910551 0.80 PTGES (0.42) CETP
SCHEMBL7420915 0.79 SLC1A1 (0.44) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL16166282 0.79 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7354777 0.78 MAOB (0.40) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL6299671 0.78 ALDH1A1 (0.43) FOLH1SLC1A3SLC1A2SLC1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129557-B2 Phosphonic acid diester derivative and method for producing thereof Nagai, Kazuhiro (JP) 2012-03-06 US disclosed
US-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF HIRATAKE, GOU (JP) 2009-06-25 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 (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-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF PPA1, G6PD, PHOSPHO1 FOLH1 496/4885TSHR 2704/4885S1PR2 729/4885

“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.