SCHEMBL7778593

SCHEMBL7778593

O=P(O)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 2/20 0.58
▸ PGK2 P07205 2/20 0.58
▸ ACP3 P15309 3/20 0.56
▸ CA1 P00915 2/20 0.51
▸ MMP2 P08253 2/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CES2 O00748 1/20 0.50
▸ MGLL Q99685 1/20 0.46
▸ PTPN1 P18031 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PTPN5 P54829 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ P2RX1 P51575 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CA2 P00918 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP9 P14780 1/20 0.43

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
SCHEMBL14114290 0.88 PGK1 (0.73) PGK1PGK2ACP3CA1MMP2
Hydrochloric Acid SCHEMBL10915162 0.86 PGK1 (0.71) PGK1PGK2ACP3CA1MMP2
SCHEMBL11650654 0.85 PGK1 (0.54) PGK1PGK2ACP3CA1MMP2
SCHEMBL10701108 0.80 PGK1 (0.49) PGK1PGK2ACP3CA1MMP2
Phosphoric Acid SCHEMBL28200180 0.79 PGK1 (0.61) PGK1PGK2ACP3CA1MMP2
SCHEMBL28504463 0.78 PGK1 (0.47) PGK1PGK2ACP3CA1MMP2
SCHEMBL8164654 0.78 PGK1 (0.51) PGK1PGK2ACP3CA1MMP2
SCHEMBL12229763 0.77 ACP3 (0.49) PGK1PGK2ACP3CA1MMP2
SCHEMBL7775624 0.72 CA12 (0.47) PGK1PGK2MMP2CA12CES2
SCHEMBL62723 0.72 TSHR (0.67) CES2MGLLTSHRMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673944-B1 Process for preparing 2,2'-bis(diphenyl-phosphinylmethyl)-1,1'binaphtyl and novel compounds belonging to this group of substances CELANESE CHEM EUROPE GMBH (DE) 2001-08-16 — — EP claimed
CN-109096334-B Preparation method of chiral aryl phosphine oxide compound and derivative thereof 广西大学 2021-01-15 — — CN disclosed
US-9493494-B2 Phosphinine oxide derivative and preparation method thereof KNU-INDUSTRY COOPERATION FOUNDATION (KR) 2016-11-15 — — US disclosed
US-20150344506-A1 NOVEL PHOSPHININE OXIDE DERIVATIVE AND PREPARATION METHOD THEREOF KNU-INDUSTRY COOPERATION FOUNDATION (KR) 2015-12-03 — — 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-20150344506-A1 NOVEL PHOSPHININE OXIDE DERIVATIVE AND PREPARATION METHOD THEREOF PHOSPHO1, PPIP5K2, ITPA PGK1 1214/4885PGK2 704/4885ACP3 886/4885

“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.

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