SCHEMBL2608430

SCHEMBL2608430

CCOC(=O)C1CCN(c2cccc(C(C)=O)c2C(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
MAPT P10636 5/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LGMN Q99538 2/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
CTSB P07858 1/20 0.46
CYP2C19 P33261 1/20 0.45
TSHR P16473 1/20 0.45
LIPE Q05469 1/20 0.45

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
SCHEMBL2612165 0.86 HPGD (0.55) HPGDMAPTALDH1A1KDM4ELGMN
SCHEMBL23536170 0.78 KDM4E (0.57) HPGDMAPTALDH1A1KDM4EKMT2A
SCHEMBL29948600 0.78 KDM4E (0.57) HPGDMAPTALDH1A1KDM4EKMT2A
SCHEMBL3436315 0.76 ALDH1A1 (0.64) HPGDMAPTALDH1A1KDM4ELGMN
SCHEMBL2165481 0.76 ALDH1A1 (0.67) HPGDMAPTALDH1A1KDM4ELGMN
SCHEMBL2608433 0.76 NPC1 (0.50) MAPTALDH1A1KMT2AMEN1CYP2C19
SCHEMBL31458523 0.76 TSHR (0.60) HPGDMAPTALDH1A1KDM4ELGMN
SCHEMBL2080093 0.74 LGMN (0.71) HPGDMAPTALDH1A1KDM4ELGMN
SCHEMBL196131 0.74 HPGD (0.61) HPGDMAPTALDH1A1KDM4ELGMN
SCHEMBL14804207 0.74 HPGD (0.61) HPGDMAPTALDH1A1KDM4ELGMN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9610317-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2017-04-04 US disclosed
US-20160082069-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. 2016-03-24 US disclosed
US-9233136-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2016-01-12 US disclosed
US-20140328796-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. 2014-11-06 US disclosed
US-8785378-B2 Macrocyclic peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-8445430-B2 Cyclic carboxamide compounds and analogues thereof as of hepatitis C virus ACHILLION PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-8163693-B2 Urea-containing peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2012-04-24 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-20100124545-A1 CYCLIC CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF AS OF HEPATITIS C VIRUS ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-20 US disclosed
US-20090082261-A1 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
US-20090048297-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-02-19 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 (6 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 HPGD 3204/4885MAPT 4655/4885ALDH1A1 4490/4885
US-20090082261-A1 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, SLC14A1, RPL35 HPGD 3897/4885MAPT 1638/4885ALDH1A1 4465/4885
US-20160082069-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, ZC3HAV1L HPGD 3279/4885MAPT 4060/4885ALDH1A1 3885/4885
US-20140328796-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, CCL5 HPGD 4148/4885MAPT 4499/4885ALDH1A1 4010/4885
US-20090048297-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, CCL5 HPGD 4148/4885MAPT 4499/4885ALDH1A1 4010/4885
US-20100124545-A1 CYCLIC CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF AS OF HEPATITIS C VIRUS CPS1, CCKAR, C1R HPGD 2592/4885MAPT 4530/4885ALDH1A1 2673/4885

“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.