Sugi Predict

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SCHEMBL16064009

SCHEMBL16064009

COc1ccc2c(O)cc(-c3ncc(C(C)C)s3)nc2c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 4/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ IDO1 P14902 3/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PDE2A O00408 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ RXFP1 Q9HBX9 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
SCHEMBL313693 0.79 CTSS (0.38) KDM4EMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL996348 0.78 SMPD3 (0.47) TDO2KDM4EMAPTIDO1NPC1
SCHEMBL3625504 0.75 MAPT (0.40) KDM4EMAPTNPC1ALDH1A1HPGD
SCHEMBL2624139 0.74 GPR35 (0.36) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL997481 0.74 ADORA2A (0.33) TDO2NPC1ALDH1A1NPSR1MEN1
SCHEMBL3625399 0.73 ALDH1A1 (0.35) KDM4EMAPTNPC1ALDH1A1HPGD
SCHEMBL3627208 0.72 TDO2 (0.51) TDO2KDM4EMAPTIDO1ALDH1A1
SCHEMBL13226974 0.72 RAC1 (0.32) KDM4EMAPTNPC1NPSR1MEN1
SCHEMBL12070947 0.72 KDM4E (0.41) KDM4EMAPTNPC1ALDH1A1HPGD
SCHEMBL1232405 0.71 ALDH1A1 (0.35) KDM4EMAPTNPC1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006423-B2 Process for making a 4-amino-4-oxobutanoyl peptide cyclic analogue, an inhibitor of viral replication, and intermediates thereof ACHILLION PHARMACEUTICALS INC. (US) 2015-04-14 — — US disclosed
US-9006423-B2 Process for making a 4-amino-4-oxobutanoyl peptide cyclic analogue, an inhibitor of viral replication, and intermediates thereof ACHILLION PHARMACEUTICALS INC. (US) 2015-04-14 — — US disclosed
WO-2014145507-A1 A PROCESS FOR MAKING A 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUE, AN INHIBITOR OF VIRAL REPLICATION, AND INTERMEDIATES THEREOF ACHILLION PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO disclosed
US-20140275520-A1 PROCESS FOR MAKING A 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUE, AN INHIBITOR OF VIRAL REPLICATION, AND INTERMEDIATES THEREOF ACHILLION PHARMACEUTICALS, INC. (US) 2014-09-18 — — US disclosed
US-20140275520-A1 PROCESS FOR MAKING A 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUE, AN INHIBITOR OF VIRAL REPLICATION, AND INTERMEDIATES THEREOF ACHILLION PHARMACEUTICALS, INC. (US) 2014-09-18 — — US 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 (1 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-20140275520-A1 PROCESS FOR MAKING A 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUE, AN INHIBITOR OF VIRAL REPLICATION, AND INTERMEDIATES THEREOF VIP, ZC3HAV1, RNGTT TDO2 4233/4885KDM4E 1163/4885MAPT 4249/4885

“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.