SCHEMBL5457589

SCHEMBL5457589

O=C(Nc1cccc(C(F)(F)F)c1)c1c[c]cc(O)c1O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 2/20 0.66
▸ SLC2A1 P11166 1/20 0.60
▸ P2RX4 Q99571 1/20 0.60
▸ P2RX7 Q99572 1/20 0.60
▸ TMPRSS4 Q9NRS4 1/20 0.60
▸ MEN1 O00255 1/20 0.59
▸ OPRK1 P41145 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ PTGS1 P23219 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ RXFP1 Q9HBX9 12/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ AKR1C3 P42330 1/20 0.54
▸ GAA P10253 1/20 0.52
▸ AHR P35869 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52

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
SCHEMBL5455385 0.81 P2RX1 (0.64) P2RX1HTTMAPTGAA
Salfluverine SCHEMBL2700016 0.80 P2RX1 (1.00) P2RX1SLC2A1P2RX4P2RX7TMPRSS4
SCHEMBL5465118 0.78 TRPV1 (0.59) TMPRSS4MEN1KMT2AMAPTRXFP1
SCHEMBL15209878 0.77 MEN1 (0.70) P2RX1SLC2A1P2RX4P2RX7TMPRSS4
SCHEMBL9322590 0.76 P2RX1 (0.73) P2RX1SLC2A1P2RX4P2RX7TMPRSS4
SCHEMBL5455126 0.76 RAB9A (0.59) MEN1HTTKMT2AMAPTSMN1; SMN2
SCHEMBL15529405 0.76 RXFP1 (0.90) P2RX1PTGS1MAPTRXFP1
SCHEMBL330133 0.75 P2RX1 (0.73) P2RX1SLC2A1P2RX4P2RX7TMPRSS4
SCHEMBL14394718 0.75 P2RX1 (0.78) P2RX1SLC2A1P2RX4P2RX7TMPRSS4
SCHEMBL330629 0.75 TMPRSS4 (1.00) P2RX1SLC2A1P2RX4P2RX7TMPRSS4

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
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 — — US claimed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 — — EP claimed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 — — US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 — — EP 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 P2RX1 4478/4885SLC2A1 1768/4885P2RX4 4847/4885

“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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