SCHEMBL11992672

SCHEMBL11992672

COC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1NC(CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.40
▸ SCN9A Q15858 2/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ DRD1 P21728 1/20 0.37
▸ P2RY1 P47900 6/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ P2RX3 P56373 1/20 0.35

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
SCHEMBL11991467 0.85 SCN9A (0.44) TDP1SCN9AFPR2DRD1P2RY1
SCHEMBL11991466 0.83 TDP1 (0.40) TDP1SCN9AFPR2DRD1P2RY1
SCHEMBL11991469 0.82 SCN9A (0.43) TDP1SCN9AFPR2DRD1P2RY1
SCHEMBL11922572 0.80 FPR2 (0.48) TDP1SCN9AFPR2DRD1P2RY1
SCHEMBL11991464 0.79 SCN9A (0.45) TDP1SCN9AFPR2DRD1P2RY1
SCHEMBL11992930 0.78 SCN9A (0.45) TDP1SCN9AFPR2DRD1P2RY1
SCHEMBL11991583 0.77 SCN9A (0.40) TDP1SCN9AFPR2DRD1P2RY1
SCHEMBL12303747 0.76 TDP1 (0.54) TDP1P2RY1P2RY14
SCHEMBL12303669 0.75 P2RY1 (0.44) TDP1SCN9AFPR2DRD1P2RY1
SCHEMBL12763932 0.74 TDP1 (0.41) TDP1SCN9AFPR2DRD1P2RY1

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 3 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-8541402-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-24 — — US disclosed
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — 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-20120214783-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H TDP1 1659/4885SCN9A 2294/4885FPR2 3185/4885

“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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