Sugi Predict

Sugi Predict / Compounds / SCHEMBL3482003

SCHEMBL3482003

SCHEMBL3482003

O=P(O)(O)c1ccc(P(=O)(O)O)c(P(=O)(O)O)c1P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ POLB P06746 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ PTK2B Q14289 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ALPG P10696 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SNCA P37840 1/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ PGK1 P00558 3/20 0.31
▸ PGK2 P07205 3/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ FDPS P14324 1/20 0.30

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
SCHEMBL20380083 0.85 FDPS (0.35) CA2CA4CA5APTK2BFDPS
SCHEMBL20379776 0.82 PTK2B (0.42) CA2CA4CA5APOLBNPC1
SCHEMBL20380136 0.82 PTK2B (0.33) CA2CA4CA5APOLBNPC1
SCHEMBL31565648 0.78 CYP1A2 (0.39) CA2CA4CA5APTK2BCYP1A2
SCHEMBL22323427 0.78 FBP1 (0.36) CA2CA4CA5APOLBNPC1
SCHEMBL11417399 0.78 CYP3A4 (0.34) CA2CA4CA5APTK2BFDPS
SCHEMBL4943919 0.78 CYP1A2 (0.39) CA2CA4CA5APTK2BCYP1A2
SCHEMBL7642421 0.73 CA2 (0.35) CA2CA4CA5APOLBNPC1
SCHEMBL8397660 0.73 CYP1A2 (0.38) CA2CA4CA5APTK2BALDH1A1
SCHEMBL9736094 0.73 CYP1A2 (0.33) ALDH1A1CYP1A2CYP2D6KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11317632-B2 Materials amd methods for buffering active chlorine solutions PHARMOCON LLC (US) 2022-05-03 — — US disclosed
CN-110545666-A Materials and methods for buffering active chlorine solutions PHARMOCON LLC 2019-12-06 — — CN disclosed
EP-3568017-A1 MATERIALS AND METHODS FOR BUFFERING ACTIVE CHLORINE SOLUTIONS Pharmocon LLC (US) 2019-11-20 — — EP disclosed
US-20190320658-A1 MATERIALS AMD METHODS FOR BUFFERING ACTIVE CHLORINE SOLUTIONS PHARMOCON LLC (US) 2019-10-24 — — US disclosed
WO-2018132846-A1 MATERIALS AMD METHODS FOR BUFFERING ACTIVE CHLORINE SOLUTIONS PHARMOCON LLC (US) 2018-07-19 — — WO disclosed
EP-2264040-A1 Proton-conducting organic materials Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2010-12-22 — — EP disclosed
WO-2010139476-A1 PROTON-CONDUCTING ORGANIC MATERIALS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2010-12-09 — — 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-20190320658-A1 MATERIALS AMD METHODS FOR BUFFERING ACTIVE CHLORINE SOLUTIONS LPO, HAO2, CAT CA2 57/4885CA4 166/4885CA5A 456/4885
US-11317632-B2 Materials amd methods for buffering active chlorine solutions LPO, HAO2, CAT CA2 57/4885CA4 166/4885CA5A 456/4885

“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.