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SCHEMBL483090

SCHEMBL483090

COc1c(Br)cc(NC(=O)OC(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP17A1 P05093 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34

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
SCHEMBL482536 0.84 ALDH1A1 (0.57) ALDH1A1GAATDP1MAPTHPGD
SCHEMBL28042364 0.84 ALDH1A1 (0.41) ALDH1A1GAATDP1MAPTHPGD
SCHEMBL14494975 0.76 ALDH1A1 (0.51) ALDH1A1GAAMAPTHPGDLMNA
SCHEMBL1530721 0.75 CYP17A1 (0.41) CA1MAPTCYP17A1EGFRSMN1; SMN2
SCHEMBL22527597 0.75 LMNA (0.41) CA12CA1CA9MAPTHPGD
SCHEMBL29455630 0.75 LMNA (0.41) CA12CA1CA9MAPTHPGD
SCHEMBL8569699 0.75 TAS1R3 (0.46) ALDH1A1GAACA12CA1CA9
SCHEMBL5786936 0.75 ALDH1A1 (0.50) ALDH1A1GAACA12CA1CA9
SCHEMBL31679547 0.74 ALDH1A1 (0.56) ALDH1A1GAACA12CA1CA9
SCHEMBL8708428 0.74 ALDH1A1 (0.56) ALDH1A1GAACA12CA1CA9

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637478-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2017-05-02 — — US disclosed
EP-2411352-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBVIE INC (US) 2017-01-18 — — EP disclosed
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES 2016-12-22 — — US disclosed
EP-2639226-B1 Anti-infective pyrimidines and uses thereof ABBVIE BAHAMAS LTD (BS) 2016-08-31 — — EP disclosed
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 — — US disclosed
US-9139536-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2015-09-22 — — US disclosed
US-9095590-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2015-08-04 — — US disclosed
US-8986740-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2015-03-24 — — US disclosed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 — — US disclosed
US-20140294766-A1 Anti-Infective Agents and Uses Thereof ABBVIE INC (US) 2014-10-02 — — US disclosed
US-20110070193-A1 Anti-Infective Agents and Uses Thereof ABBOTT LABORATORIES (US) 2011-03-24 — — US disclosed
WO-2010111436-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 — — WO disclosed
EP-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 — — EP disclosed
EP-2203430-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS Abbott Laboratories (US) 2010-07-07 — — EP disclosed
EP-2203431-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF Abbott Laboratories (US) 2010-07-07 — — EP disclosed
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-07-23 — — US disclosed
US-20090176784-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-07-09 — — US disclosed
WO-2009039135-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS ABBOTT LABORATORIES (US) 2009-03-26 — — WO disclosed
WO-2009039134-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2009-03-26 — — WO disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 — — 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 (6 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-20110070193-A1 Anti-Infective Agents and Uses Thereof MPO, SERPINB1, ELANE ALDH1A1 2117/4885GAA 202/4885TDP1 3568/4885
US-20150056164-A1 Antiviral Compounds and Uses Thereof MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2957/4885GAA 246/4885TDP1 2255/4885
US-20090176784-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE ALDH1A1 2117/4885GAA 202/4885TDP1 3568/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2957/4885GAA 246/4885TDP1 2255/4885
US-20140294766-A1 Anti-Infective Agents and Uses Thereof MPO, SERPINB1, ELANE ALDH1A1 2117/4885GAA 202/4885TDP1 3568/4885
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE ALDH1A1 2117/4885GAA 202/4885TDP1 3568/4885

“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.