Sugi Predict

Sugi Predict / Compounds / SCHEMBL3168356

SCHEMBL3168356

SCHEMBL3168356

CCCC(CC(O[C]=O)c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.36
▸ CYP2D6 P10635 5/20 0.36
▸ PKM P14618 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ AOC3 Q16853 2/20 0.34
▸ SLC6A4 P31645 4/20 0.33
▸ POLB P06746 3/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ CCR5 P51681 1/20 0.31
▸ GSR P00390 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ CYP3A4 P08684 4/20 0.31
▸ TSHR P16473 3/20 0.31
▸ SLC6A2 P23975 3/20 0.31
▸ SLC6A3 Q01959 3/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CHRM1 P11229 2/20 0.31
▸ ADRA2B P18089 2/20 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
SCHEMBL1432767 0.85 AOC3 (0.39) CYP1A2CYP2D6SMN1; SMN2AOC3SLC6A4
SCHEMBL6003373 0.79 POLB (0.42) SMN1; SMN2SLC6A4POLBLMNACYP3A4
SCHEMBL3168362 0.78 AOC3 (0.34) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL27372 0.78 LMNA (0.42) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL3928059 0.78 SLC7A5 (0.40) SMN1; SMN2POLBLMNAHTR2AKCNH2
SCHEMBL6716961 0.76 ALDH1A1 (0.40) SMN1; SMN2POLBHTR2AOPRM1OPRK1
SCHEMBL6723179 0.76 ALDH1A1 (0.40) SMN1; SMN2POLBHTR2AOPRM1OPRK1
SCHEMBL9572737 0.76 SMN1; SMN2 (0.39) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL9572898 0.74 AOC3 (0.36) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL1263573 0.73 AOC3 (0.48) AOC3ESR1ESR2LMNAHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8603975-B2 Cyclic peptide compounds ASTELLAS PHARMA INC. (JP) 2013-12-10 — — US disclosed
EP-2150269-B1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-11-21 — — EP disclosed
EP-2455098-A1 New cyclic peptide compounds Astellas Pharma Inc. (JP) 2012-05-23 — — EP disclosed
US-20100120672-A1 CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-05-13 — — US disclosed
EP-2150269-A1 NEW CYCLIC PEPTIDE COMPOUNDS Astellas Pharma Inc. (JP) 2010-02-10 — — EP disclosed
WO-2008139986-A1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC., (JP) 2008-11-20 — — WO disclosed
US-7407961-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2008-08-05 — — US disclosed
US-7265120-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2007-09-04 — — US disclosed
EP-1737841-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF AS ADENOSINE ANTAGONISTS Astellas Pharma Inc. (JP) 2007-01-03 — — EP disclosed
EP-1678160-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF Astellas Pharma Inc. (JP) 2006-07-12 — — EP disclosed
WO-2005095384-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF AS ADENOSINE ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2005-10-13 — — WO disclosed
US-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-10-06 — — US disclosed
US-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-26 — — US disclosed
WO-2005040151-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF ASTELLAS PHARMA INC. (JP) 2005-05-06 — — WO disclosed
US-20040110763-A1 Pyrazolopyridine compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 — — US disclosed
US-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-04-08 — — US disclosed
WO-2004022540-A2 PYRIDAZINONE AND PYRIDONE DERIVATIVES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-18 — — WO disclosed
WO-2003045950-A1 PYRAZOLOPYRIDINE DERIVTIVES AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 — — WO disclosed
EP-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 — — EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 — — 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-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, P2RX5, ADORA1 CYP1A2 806/4885CYP2D6 1667/4885PKM 326/4885
US-20100120672-A1 CYCLIC PEPTIDE COMPOUNDS VIP, HAVCR2, ZC3HAV1 CYP1A2 4841/4885CYP2D6 4812/4885PKM 4059/4885
US-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, HTR5A, ADORA1 CYP1A2 494/4885CYP2D6 878/4885PKM 742/4885
US-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof ADORA1, ADORA2A, P2RX5 CYP1A2 772/4885CYP2D6 643/4885PKM 128/4885
US-20040110763-A1 Pyrazolopyridine compound and pharmaceutical use thereof ADRB1, ADRA1D, ADRB3 CYP1A2 373/4885CYP2D6 390/4885PKM 833/4885

“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.