SCHEMBL12303669

SCHEMBL12303669

COC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1N[C@@H](C)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 4/20 0.44
▸ FPR2 P25090 1/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.40
▸ PTGER4 P35408 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ MAPK8 P45983 1/20 0.38

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
SCHEMBL12303674 0.89 P2RY1 (0.48) P2RY1FPR2SCN9AKDM4EMEN1
SCHEMBL11922572 0.88 FPR2 (0.48) P2RY1FPR2SCN9ATDP1DRD1
SCHEMBL11991464 0.84 SCN9A (0.45) P2RY1FPR2SCN9ATDP1DRD1
SCHEMBL11992930 0.83 SCN9A (0.45) P2RY1FPR2SCN9ATDP1DRD1
SCHEMBL11991467 0.83 SCN9A (0.44) P2RY1FPR2SCN9ATDP1DRD1
SCHEMBL11991469 0.82 SCN9A (0.43) P2RY1FPR2SCN9ATDP1DRD1
SCHEMBL12303701 0.80 P2RY1 (0.43) P2RY1FPR2SCN9AKDM4EMEN1
SCHEMBL12303727 0.79 P2RY1 (0.49) P2RY1KDM4EMEN1CYP1A2CYP2C19
SCHEMBL12763926 0.78 TDP1 (0.44) P2RY1FPR2SCN9ATDP1DRD1
SCHEMBL12819938 0.78 P2RY1 (0.46) P2RY1TDP1DRD1MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 — — US disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 — — 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-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E P2RY1 1687/4885FPR2 2994/4885SCN9A 2265/4885

“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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