Sugi Predict

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SCHEMBL258548

SCHEMBL258548

C=C(C)C(=O)OCCOC(=O)CCP(=O)(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ POLB P06746 3/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ THRB P10828 1/20 0.39
▸ ALOX5 P09917 1/20 0.36
▸ TSHR P16473 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL258657 0.96 CFTR (0.43) CFTRSMN1; SMN2PKMALDH1A1TDP1
SCHEMBL258577 0.95 POLB (0.45) CFTRSMN1; SMN2PKMALDH1A1TDP1
SCHEMBL13109398 0.86 ALDH1A1 (0.41) CFTRSMN1; SMN2PKMALDH1A1POLB
SCHEMBL13109378 0.85 LPAR1 (0.44) CFTRSMN1; SMN2PKMALDH1A1POLB
SCHEMBL13109387 0.83 SMN1; SMN2 (0.40) CFTRSMN1; SMN2PKMALDH1A1TDP1
SCHEMBL13498174 0.82 CFTR (0.50) CFTRSMN1; SMN2PKMALDH1A1TDP1
SCHEMBL13109392 0.82 POLB (0.40) CFTRSMN1; SMN2PKMALDH1A1POLB
SCHEMBL28394902 0.82 CFTR (0.44) CFTRSMN1; SMN2PKMALDH1A1TDP1
SCHEMBL258599 0.82 ALDH1A1 (0.44) CFTRSMN1; SMN2PKMALDH1A1POLB
SCHEMBL7616480 0.80 CFTR (0.50) CFTRSMN1; SMN2PKMALDH1A1TDP1

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
US-8063123-B2 Phosphorus-containing mixtures, a process for their preparation and their use CLARIANT FINANCE (BVI) LIMITED (VG) 2011-11-22 — — US disclosed
US-7777080-B2 Carboxylic acid derivatives containing phosphorous groups and organically polymerizable groups FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2010-08-17 — — US disclosed
US-20070225414-A1 Phosphorus-containing mixtures, a process for their preparation and their use CLARIANT INTERNATIONAL LTD 2007-09-27 — — US disclosed
US-20060142515-A1 Carboxylic acid derivatives containing phosphorous groups and organically polymerisable groups FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2006-06-29 — — US disclosed
EP-1537130-A1 CARBOXYLIC ACID DERIVATIVES CONTAINING PHOSPHOROUS GROUPS AND ORGANICALLY POLYMERISABLE GROUPS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2005-06-08 — — EP disclosed
WO-2004026884-A1 CARBOXYLIC ACID DERIVATIVES CONTAINING PHOSPHOROUS GROUPS AND ORGANICALLY POLYMERISABLE GROUPS FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2004-04-01 — — 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-20060142515-A1 Carboxylic acid derivatives containing phosphorous groups and organically polymerisable groups CA6, PGD, PHGDH CFTR 4377/4885SMN1; SMN2 4809/4885PKM 827/4885

“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.