SCHEMBL694245

SCHEMBL694245

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TTR P02766 1/20 0.35
TPMT P51580 1/20 0.34
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
TBXA2R P21731 1/20 0.31

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
SCHEMBL1530477 0.84 TTR (0.32) TTRTPMT
SCHEMBL351682 0.81 PTGS2 (0.39) CYP1A2TTRTPMT
SCHEMBL708411 0.76 TPMT (0.42) HSD17B10TTRTPMT
SCHEMBL13191049 0.76 TTR (0.56) CYP1A2CYP2C9HIF1AHSD17B10TTR
SCHEMBL694843 0.75 TPMT (0.38) TTRTPMT
SCHEMBL1530426 0.74
SCHEMBL1530694 0.73 TTR (0.48) TTRTPMTADRB2ADRB1ADRB3
SCHEMBL1530201 0.73 TPMT (0.35) TTRTPMT
SCHEMBL12678948 0.70 HSD17B10 (0.45) HSD17B10TPMT
SCHEMBL2065796 0.70 PTGS2 (0.46) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2639226-B1 Anti-infective pyrimidines and uses thereof ABBVIE BAHAMAS LTD (BS) 2016-08-31 EP 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-8741914-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-03 US disclosed
EP-2725015-A1 Uracil or thymine derivative for treating hepatitis c AbbVie Bahamas Ltd. (BS) 2014-04-30 EP 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-2203431-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF Abbott Laboratories (US) 2010-07-07 EP disclosed
EP-2203430-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS 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-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C 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

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 CYP1A2 2937/4885CYP2C9 2170/4885HIF1A 3711/4885
US-20090176784-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE CYP1A2 2937/4885CYP2C9 2170/4885HIF1A 3711/4885
US-20140294766-A1 Anti-Infective Agents and Uses Thereof MPO, SERPINB1, ELANE CYP1A2 2937/4885CYP2C9 2170/4885HIF1A 3711/4885
US-20140235638-A1 Anti-Infective Agents and Uses Thereof MPO, ELANE, LPO CYP1A2 2616/4885CYP2C9 1959/4885HIF1A 3727/4885
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE CYP1A2 2937/4885CYP2C9 2170/4885HIF1A 3711/4885

“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.