Sugi Predict

Sugi Predict / Compounds / SCHEMBL136953

SCHEMBL136953

SCHEMBL136953

CCCC(=CC(=O)O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 4/20 0.43
▸ ALDH1A1 P00352 5/20 0.39
▸ FFAR3 O14843 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ SOAT1 P35610 1/20 0.36
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ FAAH O00519 2/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL10394838 1.00 HCAR2 (0.43) HCAR2ALDH1A1FFAR3HDAC3HDAC1
Octane SCHEMBL10672069 0.84 FAAH (0.47) ALDH1A1HSD17B10ALOX15FAAH
SCHEMBL10672206 0.84 FAAH (0.47) ALDH1A1HSD17B10ALOX15FAAH
Octane SCHEMBL10672248 0.83 FAAH (0.46) ALDH1A1HSD17B10ALOX15FAAH
SCHEMBL3555076 0.82 HCAR2 (0.46) HCAR2ALDH1A1FFAR3NPSR1LMNA
Octane SCHEMBL10666738 0.81 FAAH (0.45) ALDH1A1HSD17B10ALOX15FAAH
SCHEMBL10392927 0.80 HDAC3 (0.40) HCAR2ALDH1A1FFAR3HDAC3HDAC1
SCHEMBL22056564 0.79 ALDH1A1 (0.41) HCAR2ALDH1A1NPSR1LMNAHSD17B10
SCHEMBL7124182 0.78 ALDH1A1 (0.44) HCAR2ALDH1A1NPSR1LMNAHSD17B10
SCHEMBL7124183 0.78 ALDH1A1 (0.44) HCAR2ALDH1A1NPSR1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430029-B1 THIENO[2,3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2018-01-10 — — EP disclosed
EP-2640729-B1 INHIBITORS OF HIV REPLICATION VIIV HEALTHCARE UK LTD (GB) 2016-12-21 — — EP disclosed
US-20160355528-A1 INHIBITORS OF HIV REPLICATION VIIV HEALTHCARE UK LIMITED (GB) 2016-12-08 — — US disclosed
US-9499563-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-11-22 — — US disclosed
US-9447116-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2016-09-20 — — US disclosed
US-20140315927-A1 Inhibitors of HIV Replication VIIV HEALTHCARE UK LIMITED (GB) 2014-10-23 — — US disclosed
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS CISTIM LEUVEN VZW (BE) 2014-10-02 — — US disclosed
US-8809363-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2014-08-19 — — US disclosed
US-8785638-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-07-22 — — US disclosed
EP-2640729-A1 INHIBITORS OF HIV REPLICATION VIIV Healthcare UK Limited (GB) 2013-09-25 — — EP disclosed
US-20120136023-A1 Inhibitors of HIV Replication VIIV HEALTHCARE UK LIMITED (GB) 2012-05-31 — — US disclosed
WO-2012066442-A1 INHIBITORS OF HIV REPLICATION PFIZER LIMITED (GB) 2012-05-24 — — WO disclosed
EP-2430029-A1 THIENO [2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven (BE) 2012-03-21 — — EP disclosed
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-03-08 — — US disclosed
US-7956068-B2 Inhibitors of human immunodeficiency virus replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-07 — — US disclosed
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-02 — — US disclosed
WO-2010130842-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-11-18 — — WO disclosed
EP-2220095-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Boehringer Ingelheim International GmbH (DE) 2010-08-25 — — EP disclosed
WO-2009062288-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 — — WO disclosed
US-3998873-A ORGANOLEPTICS, PERFUMES, AROMAS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-21 — — 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-20160355528-A1 INHIBITORS OF HIV REPLICATION RTF2, POLRMT, MAVS HCAR2 4308/4885ALDH1A1 4304/4885FFAR3 4414/4885
US-20120136023-A1 Inhibitors of HIV Replication RTF2, POLRMT, MAVS HCAR2 4308/4885ALDH1A1 4304/4885FFAR3 4414/4885
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS HCAR2 4092/4885ALDH1A1 1925/4885FFAR3 4769/4885
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS HCAR2 4092/4885ALDH1A1 1925/4885FFAR3 4769/4885
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION CCNY, RTF2, POLR2E HCAR2 4025/4885ALDH1A1 3803/4885FFAR3 3948/4885
US-20140315927-A1 Inhibitors of HIV Replication RTF2, POLRMT, MAVS HCAR2 4308/4885ALDH1A1 4304/4885FFAR3 4414/4885

“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.