SCHEMBL22020366

SCHEMBL22020366

CCOP(=O)(OCC)C(NC(=O)CCCO)P(=O)(OCC)OCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PLA2G2C Q5R387 1/20 0.38
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
PPARD Q03181 2/20 0.36
PLA2G4A P47712 2/20 0.36
MEN1 O00255 1/20 0.36
FAAH O00519 1/20 0.36
MAPK1 P28482 1/20 0.36
LPAR3 Q9UBY5 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL18843862 0.94 PLA2G2C (0.41) GAACYP3A4CYP2C9CYP2C19PLA2G2C
SCHEMBL12232688 0.88 MEN1 (0.44) GAACYP3A4CYP2C9CYP2C19PLA2G2C
SCHEMBL24637862 0.85 GAA (0.42) GAACYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL5273087 0.85 CYP1A2 (0.41) GAACYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3316311 0.85 GAA (0.39) GAACYP3A4CYP2C9CYP2C19PLA2G2C
SCHEMBL24637996 0.85 GAA (0.35) GAACYP3A4CYP2C9CYP2C19PLA2G2C
SCHEMBL12232709 0.84 GAA (0.43) GAACYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL18843881 0.84 PLA2G4A (0.36) GAACYP3A4CYP2C9CYP2C19PLA2G2C
SCHEMBL2543782 0.81 GAA (0.41) GAACYP3A4CYP2C9CYP2C19PLA2G2C
SCHEMBL5276735 0.81 GAA (0.41) GAACYP3A4CYP2C9CYP2C19KMT2A

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
WO-2025024714-A2 BONE-TARGETED CANONICAL NOTCH INHIBITOR BIOVENTURES, LLC (US) 2025-01-30 WO disclosed
US-10660884-B2 Phosphonate-chloroquine conjugates and methods using same UNIVERSITY OF ROCHESTER (US) 2020-05-26 US disclosed
US-20160248025-A1 Organic Electroluminescent Device UDC IRELAND LTD (IE) 2016-08-25 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-10660884-B2 Phosphonate-chloroquine conjugates and methods using same PHPT1, ENPP2, QPCT GAA 71/4885CYP3A4 4483/4885CYP2C9 3532/4885

“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.