SCHEMBL11991612

SCHEMBL11991612

COCC(COC)N(C(=O)c1ccc(Cl)cn1)c1cc(F)c(Oc2ncc(C=O)cc2C(F)(F)F)cc1C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.33
▸ MRGPRX4 Q96LA9 2/20 0.32
▸ GAA P10253 2/20 0.31
▸ MCOLN3 Q8TDD5 1/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ LRRK2 Q5S007 3/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ TGFBR1 P36897 1/20 0.30

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
SCHEMBL11991611 0.94 SCN9A (0.32) SCN9AMRGPRX4GAAMCOLN3NPSR1
SCHEMBL11922613 0.92 SCN9A (0.35) SCN9AMRGPRX4GAAMCOLN3NPSR1
SCHEMBL11991608 0.91 SCN9A (0.33) SCN9AMRGPRX4GAAMCOLN3NPSR1
SCHEMBL11991613 0.90 MRGPRX4 (0.33) SCN9AMRGPRX4GAAMCOLN3NPSR1
SCHEMBL11991615 0.90 MRGPRX4 (0.33) SCN9AMRGPRX4GAAMCOLN3NPSR1
SCHEMBL11991503 0.87 LTC4S (0.32) SCN9AGAAMCOLN3NPSR1MEN1
SCHEMBL11991502 0.85 SCN9A (0.30) SCN9AMRGPRX4
SCHEMBL11922556 0.83 MRGPRX4 (0.35) SCN9AMRGPRX4GAAMCOLN3NPSR1
SCHEMBL11922612 0.81 SCN9A (0.35) SCN9AMRGPRX4GAAMCOLN3NPSR1
SCHEMBL11922611 0.81 SCN9A (0.35) SCN9AMRGPRX4GAAMCOLN3NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912182-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-16 — — US disclosed
US-8912182-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-16 — — US disclosed
US-8541402-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-24 — — US disclosed
US-8541402-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-24 — — US disclosed
US-8476257-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-02 — — US disclosed
US-8476257-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-02 — — US disclosed
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20110021486-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
US-20110021486-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
WO-2009076747-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — 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 (2 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-20110021486-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H SCN9A 2294/4885MRGPRX4 2825/4885GAA 1929/4885
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H SCN9A 2294/4885MRGPRX4 2825/4885GAA 1929/4885

“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.

Send feedback