SCHEMBL351682

SCHEMBL351682

COc1c(I)cc(I)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
TTR P02766 1/20 0.36
PTGS1 P23219 1/20 0.35
ALOX15 P16050 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TPMT P51580 1/20 0.34
TNFRSF1A P19438 2/20 0.33
DHFR P00374 1/20 0.33
MCL1 Q07820 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32

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
SCHEMBL2065796 0.89 PTGS2 (0.46) PTGS2ALDH1A1TSHRTDP1CA2
Phosphine SCHEMBL28192251 0.87 PTGS2 (0.44) PTGS2ALDH1A1TSHRTDP1CA2
SCHEMBL1530477 0.82 TTR (0.32) TTRTPMTMCL1
SCHEMBL6838138 0.82 RARG (0.39) PTGS2ALDH1A1TSHRTDP1CA2
SCHEMBL694245 0.81 CYP1A2 (0.36) TTRTPMTCYP1A2
SCHEMBL12678876 0.80 PTGS2 (0.40) PTGS2ALDH1A1TSHRTDP1CA2
SCHEMBL482603 0.80 DHFR (0.37) PTGS2ALDH1A1TSHRTDP1CA2
SCHEMBL699612 0.80 DHFR (0.37) PTGS2ALDH1A1TSHRTDP1CA2
SCHEMBL482502 0.80 CA2 (0.45) PTGS2ALDH1A1TSHRTDP1CA2
SCHEMBL1530694 0.79 TTR (0.48) PTGS2ALDH1A1TDP1CA2TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111518036-A Preparation method of Dasabovir key intermediate 杭州勇诚睿生物科技有限公司 2020-08-11 CN claimed
CN-111518036-A Preparation method of Dasabovir key intermediate 杭州勇诚睿生物科技有限公司 2020-08-11 CN disclosed
CN-111518036-A Preparation method of Dasabovir key intermediate 杭州勇诚睿生物科技有限公司 2020-08-11 CN disclosed
EP-3415504-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2018-12-19 EP disclosed
EP-2887941-B1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE IRELAND UNLIMITED CO (IE) 2018-07-11 EP disclosed
EP-3056486-B1 PROCESS FOR PREPARING INTERMEDIATES FOR ANTIVIRAL COMPOUNDS ABBVIE IRELAND UNLIMITED CO (IE) 2018-07-11 EP disclosed
US-9802903-B2 Process for preparing antiviral compound ABBVIE INC. (US) 2017-10-31 US disclosed
US-9732045-B2 Process for preparing antiviral compounds ABBVIE INC. (US) 2017-08-15 US disclosed
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-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
US-20090176784-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-07-09 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-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-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
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 (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-20090176784-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE PTGS2 1919/4885ALDH1A1 2117/4885TSHR 4588/4885
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE PTGS2 1919/4885ALDH1A1 2117/4885TSHR 4588/4885

“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.