SCHEMBL11991533

SCHEMBL11991533

C=Cc1cnc(Oc2ccc(N(C(=O)c3ccc(Cl)cc3F)C(COC)COC)c(C(=O)OC)c2)c(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.35
▸ GAA P10253 1/20 0.34
▸ MCOLN3 Q8TDD5 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ MAPK10 P53779 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ LTC4S Q16873 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ SCN5A Q14524 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
SCHEMBL11991531 0.94 SCN9A (0.35) SCN9AGAAMCOLN3KDM4EALDH1A1
SCHEMBL11991534 0.90 SCN9A (0.36) SCN9AGAAMCOLN3KDM4EALDH1A1
SCHEMBL11991530 0.89 SCN9A (0.35) SCN9AGAAMCOLN3KDM4EALDH1A1
SCHEMBL11991532 0.89 SCN9A (0.35) SCN9AGAAMCOLN3KDM4EALDH1A1
SCHEMBL11991529 0.84 SCN9A (0.32) SCN9AGAAMCOLN3KDM4EALDH1A1
SCHEMBL11991611 0.81 SCN9A (0.32) SCN9AGAAMCOLN3NPSR1MRGPRX4
SCHEMBL13815311 0.81 KMT2A (0.33) KDM4EALDH1A1NPC1MAPK1KMT2A
SCHEMBL12911025 0.78 LTC4S (0.34) SCN9AGAAMCOLN3LTC4SCYP3A4
SCHEMBL11991643 0.76 SCN9A (0.30) SCN9A
SCHEMBL11991491 0.76 ABL1 (0.32) —

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 10 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

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 2294/4885GAA 1929/4885MCOLN3 3685/4885
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H SCN9A 2294/4885GAA 1929/4885MCOLN3 3685/4885

“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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