SCHEMBL11991644

SCHEMBL11991644

COCC(COC)Nc1cc(F)c(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
▸ SLC6A9 P48067 1/20 0.34
▸ USP2 O75604 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTK2 Q05397 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ IDH1 O75874 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ LRRK2 Q5S007 3/20 0.31
▸ CACNA1H O95180 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ AXL P30530 2/20 0.31
▸ MERTK Q12866 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ AVPR1B P47901 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
SCHEMBL11991487 0.94 ALDH1A1 (0.35) ALDH1A1SLC6A9USP2CYP3A4MEN1
SCHEMBL11991506 0.89 ALDH1A1 (0.35) ALDH1A1SLC6A9USP2CYP3A4MEN1
SCHEMBL11991528 0.83 PTK2 (0.33) PTK2LRRK2CACNA1HSCN9AAXL
SCHEMBL12911173 0.81 GPR183 (0.32) SLC6A9
SCHEMBL11991489 0.81 PTK2 (0.30) PTK2AXLMERTK
SCHEMBL11991640 0.78 PTK2 (0.33) PTK2LRRK2SCN9AAXLMERTK
SCHEMBL11991478 0.77 PTK2 (0.32) PTK2LRRK2CACNA1HSCN9AAXL
SCHEMBL11922595 0.77 PTK2 (0.34) ALDH1A1PTK2LRRK2CACNA1HSCN9A
SCHEMBL11991492 0.76 DHODH (0.32) DHODH
SCHEMBL11991646 0.76 DHODH (0.33) SLC6A9CYP3A4DHODH

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 2053/4885SLC6A9 3716/4885USP2 2596/4885
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H ALDH1A1 2053/4885SLC6A9 3716/4885USP2 2596/4885

“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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