Sugi Predict

Sugi Predict / Compounds / SCHEMBL2617528

SCHEMBL2617528

SCHEMBL2617528

COc1ccc2c(O[C@@H]3C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ UCHL1 P09936 1/20 0.47
▸ TACR3 P29371 7/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MCL1 Q07820 5/20 0.40
▸ PLA2G2A P14555 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ BACE1 P56817 1/20 0.39

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
SCHEMBL8261052 1.00 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3
SCHEMBL6011641 1.00 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3
SCHEMBL375146 1.00 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3
SCHEMBL9971085 0.94 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3
SCHEMBL13123350 0.94 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3
SCHEMBL8275065 0.94 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3
SCHEMBL12744677 0.92 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3
SCHEMBL14035546 0.92 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3
SCHEMBL16938888 0.92 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3
SCHEMBL13340509 0.91 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1UCHL1TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9694086-B2 HCV protease inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-07-04 — — 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-9610317-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2017-04-04 — — US disclosed
US-20160243249-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2016-08-25 — — US disclosed
US-20160235805-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2016-08-18 — — US disclosed
US-20160082069-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. 2016-03-24 — — 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-9233136-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2016-01-12 — — US disclosed
US-9163061-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-10-20 — — US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 — — US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 — — US disclosed
EP-1105422-B1 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM CA LTD (CA) 2006-02-15 — — EP disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 — — US disclosed
US-6878722-B2 Substituted cycloalkyl P1′ hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-12 — — US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 — — US disclosed
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 — — US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 — — EP disclosed
EP-1105422-A1 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-06-13 — — EP disclosed
WO-2000009558-A1 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-02-24 — — 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 (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-20160235805-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC KDM4E 2889/4885SMN1; SMN2 4140/4885ALDH1A1 1344/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 KDM4E 455/4885SMN1; SMN2 3114/4885ALDH1A1 229/4885
US-20160082069-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, ZC3HAV1L KDM4E 680/4885SMN1; SMN2 4707/4885ALDH1A1 3885/4885
US-20160243249-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC KDM4E 2889/4885SMN1; SMN2 4140/4885ALDH1A1 1344/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 KDM4E 563/4885SMN1; SMN2 2487/4885ALDH1A1 118/4885
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors HAVCR2, ANPEP, ENPEP KDM4E 4299/4885SMN1; SMN2 4827/4885ALDH1A1 2672/4885

“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.