SCHEMBL12200990

SCHEMBL12200990

C=CCCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 5/20 0.40
MAPT P10636 3/20 0.40
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
ABCC4 O15439 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
CYP2D6 P10635 1/20 0.33
GRIK1 P39086 1/20 0.33

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
SCHEMBL14319679 0.88 USP2 (0.43) ALDH1A1LMNAMEN1GAAKMT2A
SCHEMBL28073409 0.82 ALDH1A1 (0.41) ALDH1A1LMNAUSP2MAPTCYP3A4
SCHEMBL7304504 0.81 GRIK1 (0.50) MEN1GAAKMT2AMAPTHPGD
SCHEMBL7075183 0.81 GRIK1 (0.50) MEN1GAAKMT2AMAPTHPGD
SCHEMBL6138155 0.81 GRIK1 (0.50) MEN1GAAKMT2AMAPTHPGD
SCHEMBL7299260 0.81 MEN1 (0.45) MEN1GAAKMT2AHDAC3HDAC1
SCHEMBL6808467 0.81 GRIK1 (0.50) MEN1GAAKMT2AMAPTHPGD
SCHEMBL8217023 0.81 GRIK1 (0.50) MEN1GAAKMT2AMAPTHPGD
SCHEMBL7069281 0.81 GRIK1 (0.50) MEN1GAAKMT2AMAPTHPGD
SCHEMBL8217020 0.81 GRIK1 (0.50) MEN1GAAKMT2AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 US disclosed
US-9610317-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2017-04-04 US disclosed
US-9610317-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2017-04-04 US disclosed
US-20170042961-A1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC 2017-02-16 US disclosed
US-20160354425-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2016-12-08 US disclosed
US-9493506-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-11-15 US disclosed
US-9452154-B2 Methods for treating HCV GILEAD SCIENCES, INC. (US) 2016-09-27 US disclosed
US-9393256-B2 Methods for treating HCV GILEAD PHARMASSET LLC (US) 2016-07-19 US disclosed
US-9309279-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-04-12 US disclosed
US-20160082069-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. 2016-03-24 US disclosed
US-20110070168-A1 MACROCYCLIC PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-20110070168-A1 MACROCYCLIC PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-7906619-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2011-03-15 US disclosed
US-7906619-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2011-03-15 US disclosed
WO-2010068761-A2 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUES, INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed
US-20100152103-A1 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUES, INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20100152103-A1 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUES, INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20090048297-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-02-19 US disclosed
US-20090048297-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-02-19 US disclosed
WO-2008008502-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2008-01-17 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 (7 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-20110070168-A1 MACROCYCLIC PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, ZC3HAV1L ALDH1A1 4490/4885LMNA 2704/4885MEN1 1778/4885
US-20160354425-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC ALDH1A1 308/4885LMNA 4253/4885MEN1 4840/4885
US-20160082069-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, ZC3HAV1L ALDH1A1 3885/4885LMNA 4192/4885MEN1 4712/4885
US-20090048297-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, CCL5 ALDH1A1 4010/4885LMNA 2763/4885MEN1 3246/4885
US-20100152103-A1 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUES, INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, CCL5 ALDH1A1 3280/4885LMNA 4274/4885MEN1 4276/4885
US-20170189439-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC ALDH1A1 308/4885LMNA 4253/4885MEN1 4840/4885
US-20170042961-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC ALDH1A1 308/4885LMNA 4253/4885MEN1 4840/4885

“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.