SCHEMBL4456827

SCHEMBL4456827

CCCC[CH]OP(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.48
LPAR2 Q9HBW0 4/20 0.48
LPAR1 Q92633 3/20 0.48
SMPD1 P17405 6/20 0.39
TSHR P16473 1/20 0.39
GGPS1 O95749 1/20 0.37
FDPS P14324 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
SCHEMBL837422 0.86
SCHEMBL9437006 0.78 LPAR3 (0.55) LPAR3LPAR2LPAR1SMPD1GGPS1
SCHEMBL9437036 0.78 LPAR3 (0.55) LPAR3LPAR2LPAR1SMPD1GGPS1
SCHEMBL837820 0.75
SCHEMBL9437032 0.72 LPAR3 (0.59) LPAR3LPAR2LPAR1GGPS1
SCHEMBL9437024 0.72 LPAR3 (0.59) LPAR3LPAR2LPAR1GGPS1
SCHEMBL187642 0.71 LPAR3 (0.58) LPAR3LPAR2LPAR1GGPS1
SCHEMBL4335107 0.71 LPAR3 (0.58) LPAR3LPAR2LPAR1GGPS1
SCHEMBL8976923 0.71 LPAR3 (0.58) LPAR3LPAR2LPAR1GGPS1
SCHEMBL8976933 0.71 LPAR3 (0.58) LPAR3LPAR2LPAR1GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1793823-B1 PHOSPHATE CONTAINING PRODRUGS OF SULFONYL HYDRAZINES AS HYPOXIA-SELECTIVE ANTINEOPLASTIC AGENTS VION PHARMACEUTICALS INC (US) 2012-08-08 EP disclosed
US-20090075945-A1 Phosphate-bearing prodrugs of sulfonyl hydrazines as hypoxia-selective antineoplastic agents VION PHARMACEUTICALS, INC. (US) 2009-03-19 US disclosed
US-7405317-B2 Phosphate-bearing prodrugs of sulfonyl hydrazines as hypoxia-selective antineoplastic agents VION PHARMACEUTICALS INC. (US) 2008-07-29 US disclosed
EP-1793823-A2 SULFONYL HYDRAZINES AS HYPOXIA-SELECTIVE ANTINEOPLASTIC AGENTS Vion Pharmaceuticals, Inc. (US) 2007-06-13 EP disclosed
US-20060089332-A1 Phosphate-bearing prodrugs of sulfonyl hydrazines as hypoxia-selective antineoplastic agents NANOSHIFT, LLC 2006-04-27 US disclosed
WO-2006034266-A2 SULFONYL HYDRAZINES AS HYPOXIA-SELECTIVE ANTINEOPLASTIC AGENTS VION PHARMACEUTICALS, INC. (US) 2006-03-30 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 (2 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-20060089332-A1 Phosphate-bearing prodrugs of sulfonyl hydrazines as hypoxia-selective antineoplastic agents HIF1AN, HIF1A, EGLN3 LPAR3 2599/4885LPAR2 3338/4885LPAR1 3745/4885
US-20090075945-A1 Phosphate-bearing prodrugs of sulfonyl hydrazines as hypoxia-selective antineoplastic agents HIF1AN, HIF1A, SLC20A1 LPAR3 1595/4885LPAR2 2485/4885LPAR1 1782/4885

“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.