SCHEMBL11922611

SCHEMBL11922611

COC(=O)c1cc(Oc2ncc(CO)cc2C(F)(F)F)c(F)cc1N(C(=O)c1ccc(Cl)cn1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.35
▸ MRGPRX4 Q96LA9 2/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ MCOLN3 Q8TDD5 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MAPT P10636 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
SCHEMBL11922612 0.94 SCN9A (0.35) SCN9AMRGPRX4NPSR1KDM4EALDH1A1
SCHEMBL11991613 0.92 MRGPRX4 (0.33) SCN9AMRGPRX4NPSR1KDM4EALDH1A1
SCHEMBL11922557 0.91 MRGPRX4 (0.38) SCN9AMRGPRX4NPSR1KDM4EALDH1A1
SCHEMBL11922596 0.90 SCN9A (0.33) SCN9AMRGPRX4NPSR1KDM4EALDH1A1
SCHEMBL11922613 0.89 SCN9A (0.35) SCN9AMRGPRX4NPSR1KDM4EALDH1A1
SCHEMBL11922617 0.89 LMNA (0.35) SCN9AMRGPRX4NPSR1KDM4EALDH1A1
SCHEMBL11922628 0.87 SCN9A (0.36) SCN9AMRGPRX4KDM4EALDH1A1TGFBR1
SCHEMBL11922559 0.86 MRGPRX4 (0.38) SCN9AMRGPRX4NPSR1KDM4EALDH1A1
SCHEMBL11922615 0.86 SCN9A (0.34) SCN9AMRGPRX4NPSR1KDM4EALDH1A1
SCHEMBL11991615 0.86 MRGPRX4 (0.33) SCN9AMRGPRX4NPSR1KDM4EALDH1A1

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 SCN9A 2265/4885MRGPRX4 2725/4885NPSR1 2674/4885

“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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