SCHEMBL694843

SCHEMBL694843

COC(=O)C(C)(C)c1cc(I)cc(I)c1OC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.38
PLCG1 P19174 1/20 0.35
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
TTR P02766 1/20 0.32
POLB P06746 1/20 0.32
NLRP3 Q96P20 1/20 0.32
CFTR P13569 1/20 0.31
BPTF Q12830 1/20 0.31
MCL1 Q07820 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL708411 0.85 TPMT (0.42) TPMTTTRPOLBNLRP3BPTF
SCHEMBL17378820 0.78 SOS1 (0.34) TPMTPLCG1CNR2CNR1CFTR
SCHEMBL351682 0.77 PTGS2 (0.39) TPMTTTRMCL1ALDH1A1
SCHEMBL694245 0.75 CYP1A2 (0.36) TPMTTTR
SCHEMBL27856568 0.74 PLCG1 (0.38) TPMTPLCG1CNR2CNR1
SCHEMBL1530477 0.73 TTR (0.32) TPMTTTRMCL1
SCHEMBL1530168 0.72 CRBN (0.44) ALDH1A1
SCHEMBL2318670 0.71
SCHEMBL18560456 0.70 KDM4E (0.44) PLCG1CNR2CNR1POLBALDH1A1
SCHEMBL1530694 0.70 TTR (0.48) TPMTTTRPOLBBPTFMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102746240-B anti-infective pyrimidines and uses thereof 艾伯维巴哈马有限公司 2017-10-03 CN disclosed
EP-2639226-B1 Anti-infective pyrimidines and uses thereof ABBVIE BAHAMAS LTD (BS) 2016-08-31 EP disclosed
CN-105693626-A Uracil or thymine derivatives for the treatment of hepatitis C 艾伯维巴哈马有限公司 2016-06-22 CN 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-20140294766-A1 Anti-Infective Agents and Uses Thereof ABBVIE INC (US) 2014-10-02 US disclosed
US-20140235638-A1 Anti-Infective Agents and Uses Thereof ABBVIE INC. (US) 2014-08-21 US disclosed
EP-2368882-B1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBVIE BAHAMAS LTD (BS) 2014-08-13 EP disclosed
US-8741914-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-03 US disclosed
US-20110070193-A1 Anti-Infective Agents and Uses Thereof ABBOTT LABORATORIES (US) 2011-03-24 US disclosed
WO-2010111437-A1 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-2009039134-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039135-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS 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 (5 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 TPMT 287/4885PLCG1 2001/4885CNR2 4761/4885
US-20090176784-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE TPMT 287/4885PLCG1 2001/4885CNR2 4761/4885
US-20140294766-A1 Anti-Infective Agents and Uses Thereof MPO, SERPINB1, ELANE TPMT 287/4885PLCG1 2001/4885CNR2 4761/4885
US-20140235638-A1 Anti-Infective Agents and Uses Thereof MPO, ELANE, LPO TPMT 303/4885PLCG1 2035/4885CNR2 4731/4885
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE TPMT 287/4885PLCG1 2001/4885CNR2 4761/4885

“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.