SCHEMBL11991506

SCHEMBL11991506

COCC(COC)Nc1ccc(Oc2ncc(CN3CCCC(F)(F)C3)cc2C(F)(F)F)cc1C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ MCHR1 Q99705 4/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ FAAH O00519 1/20 0.34
▸ CNR2 P34972 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ SLC6A9 P48067 1/20 0.33
▸ USP2 O75604 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AXL P30530 2/20 0.32
▸ MERTK Q12866 2/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ FLT1 P17948 1/20 0.32
▸ FLT4 P35916 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ IDH1 O75874 1/20 0.31
▸ DHODH Q02127 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
SCHEMBL11991644 0.89 ALDH1A1 (0.35) ALDH1A1CYP3A4CNR2SLC6A9USP2
SCHEMBL11991487 0.83 ALDH1A1 (0.35) ALDH1A1CYP3A4CNR2SLC6A9USP2
SCHEMBL11991524 0.83 KMT2A (0.34) KMT2ASCN9A
SCHEMBL11922580 0.81 KDR (0.41) FAAHHIF1AKDR
SCHEMBL11991505 0.80 FLT1 (0.31) FLT1FLT4KDR
SCHEMBL12303342 0.79 GRM2 (0.39) CYP3A4FAAHCNR2ALOX5APAXL
SCHEMBL11991641 0.78 KMT2A (0.33) KMT2ASCN9AKDR
SCHEMBL11991535 0.78 KMT2A (0.35) ALDH1A1KMT2ASCN9A
SCHEMBL11992926 0.77 KMT2A (0.34) ALDH1A1USP2KMT2ASCN9A
SCHEMBL11922604 0.77 KMT2A (0.35) ALDH1A1KMT2ASCN9A

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 ALDH1A1 2053/4885MCHR1 4300/4885CYP3A4 1009/4885
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H ALDH1A1 2053/4885MCHR1 4300/4885CYP3A4 1009/4885

“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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