SCHEMBL11922556

SCHEMBL11922556

COC(=O)c1cc(Oc2ccc(C=O)cc2C(F)(F)F)c(F)cc1N(C(=O)c1ccc(Cl)cn1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.35
▸ SCN9A Q15858 3/20 0.34
▸ S1PR3 Q99500 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ EPAS1 Q99814 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ P2RX3 P56373 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ESRRA P11474 1/20 0.31
▸ MCOLN3 Q8TDD5 1/20 0.31

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
SCHEMBL11922613 0.91 SCN9A (0.35) MRGPRX4SCN9ATGFBR1ALDH1A1GAA
SCHEMBL11922563 0.89 MRGPRX4 (0.35) MRGPRX4SCN9AS1PR3ALDH1A1GAA
SCHEMBL11922559 0.88 MRGPRX4 (0.38) MRGPRX4SCN9AS1PR3TGFBR1ALDH1A1
SCHEMBL11922557 0.88 MRGPRX4 (0.38) MRGPRX4SCN9AS1PR3TGFBR1ALDH1A1
SCHEMBL11922628 0.84 SCN9A (0.36) MRGPRX4SCN9ATGFBR1ALDH1A1MEN1
SCHEMBL11922571 0.83 MRGPRX4 (0.34) MRGPRX4SCN9AS1PR3TGFBR1
SCHEMBL11991612 0.83 SCN9A (0.33) MRGPRX4SCN9ATGFBR1ALDH1A1GAA
SCHEMBL11922611 0.82 SCN9A (0.35) MRGPRX4SCN9ATGFBR1ALDH1A1GAA
SCHEMBL11922612 0.82 SCN9A (0.35) MRGPRX4SCN9ATGFBR1ALDH1A1GAA
SCHEMBL11922619 0.79 NPSR1 (0.34) MRGPRX4SCN9AALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 — — US disclosed
US-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 — — US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 — — US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 — — US disclosed
WO-2009018657-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 — — 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-20100190779-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E MRGPRX4 2725/4885SCN9A 2265/4885S1PR3 1652/4885

“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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