SCHEMBL1220628

SCHEMBL1220628

FC(C(F)(F)F)C(F)(F)Oc1ccc(-c2cc(CCl)on2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 6/20 0.43
▸ MAPT P10636 5/20 0.43
▸ NOTUM Q6P988 2/20 0.43
▸ SMN1; SMN2 Q16637 9/20 0.42
▸ RAB9A P51151 6/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ HTT P42858 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ JAK2 O60674 1/20 0.38

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
SCHEMBL1219704 0.91 RAB9A (0.45) L3MBTL1MAPTNOTUMSMN1; SMN2RAB9A
SCHEMBL1220932 0.85 RAB9A (0.47) L3MBTL1MAPTNOTUMSMN1; SMN2RAB9A
SCHEMBL1219843 0.80 RAB9A (0.47) L3MBTL1MAPTNOTUMSMN1; SMN2RAB9A
SCHEMBL3717603 0.77 RAB9A (0.51) L3MBTL1MAPTNOTUMSMN1; SMN2RAB9A
SCHEMBL1219816 0.75 NOTUM (0.47) L3MBTL1NOTUMSMN1; SMN2RAB9ANPC1
SCHEMBL1221306 0.75 MAPT (0.66) L3MBTL1MAPTNOTUMSMN1; SMN2RAB9A
SCHEMBL1221654 0.74 L3MBTL1 (0.48) L3MBTL1MAPTNOTUMSMN1; SMN2RAB9A
SCHEMBL541967 0.74 NOTUM (0.72) L3MBTL1MAPTNOTUMSMN1; SMN2RAB9A
SCHEMBL1220969 0.73 KMO (0.47) L3MBTL1NOTUMSMN1; SMN2RAB9ANPC1
SCHEMBL7911757 0.73 ALDH1A1 (0.54) MAPTMEN1KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044943-A1 Anti-Viral Compounds, Compositions, And Methods Of Use GLAXOSMITHKLINE LLC 2011-02-24 — — US disclosed
WO-2010081145-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-07-15 — — WO disclosed
EP-2178877-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GlaxoSmithKline LLC (US) 2010-04-28 — — EP disclosed
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them LEIVERS MARTIN ROBERT 2010-02-04 — — US disclosed
WO-2010006096-A1 PROCESSES FOR THE PREPARATION OF ANTI-VIRAL COMPOUNDS AND COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORPORATION (US) 2010-01-14 — — WO disclosed
US-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-08-06 — — US disclosed
US-20090074717-A1 Anti-viral compounds, compositions, and methods of use GLAXOSMITHKLINE LLC 2009-03-19 — — US disclosed
WO-2009011787-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. (US) 2009-01-22 — — 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 (4 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-20090074717-A1 Anti-viral compounds, compositions, and methods of use HAVCR2, SARS1, RPL35 L3MBTL1 3512/4885MAPT 1426/4885NOTUM 1675/4885
US-20110044943-A1 Anti-Viral Compounds, Compositions, And Methods Of Use HAVCR2, SARS1, RPL35 L3MBTL1 3512/4885MAPT 1426/4885NOTUM 1675/4885
US-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HAVCR2, SARS1, RPL35 L3MBTL1 3512/4885MAPT 1426/4885NOTUM 1675/4885
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them RPL35, HAVCR2, RPL5 L3MBTL1 4728/4885MAPT 2913/4885NOTUM 1905/4885

“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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