SCHEMBL1445009

SCHEMBL1445009

C=CCCCCCC(NC(=O)OC1CCCC1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
EPHX1 P07099 2/20 0.39
TGM2 P21980 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
CASP1 P29466 1/20 0.35
SLC6A5 Q9Y345 1/20 0.34
CPB2 Q96IY4 4/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPT P10636 2/20 0.34
ABCC4 O15439 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 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
SCHEMBL2812234 1.00 HDAC4 (0.51) HDAC4HDAC1EPHX1TGM2SMN1; SMN2
SCHEMBL4257798 0.99 HDAC4 (0.49) HDAC4HDAC1EPHX1TGM2SMN1; SMN2
SCHEMBL4257792 0.99 HDAC4 (0.49) HDAC4HDAC1EPHX1TGM2SMN1; SMN2
SCHEMBL5740541 0.93 HDAC4 (0.54) HDAC4HDAC1EPHX1TGM2SMN1; SMN2
SCHEMBL2808344 0.88 HDAC4 (0.49) HDAC4HDAC1EPHX1SMN1; SMN2CASP1
SCHEMBL2808340 0.88 HDAC4 (0.49) HDAC4HDAC1EPHX1SMN1; SMN2CASP1
SCHEMBL8158076 0.85 HDAC4 (0.47) HDAC4HDAC1EPHX1SMN1; SMN2CASP1
SCHEMBL693600 0.84 HDAC4 (0.45) HDAC4HDAC1EPHX1TGM2SMN1; SMN2
SCHEMBL27780890 0.83 HDAC4 (0.54) HDAC4HDAC1EPHX1SMN1; SMN2ITGB3
SCHEMBL13268215 0.82 CTSK (0.43) HDAC4HDAC1EPHX1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477980-B1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO LTD (TW) 2016-06-08 EP disclosed
US-8389560-B2 HCV protease inhibitors TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2013-03-05 US disclosed
EP-2477980-A1 HCV PROTEASE INHIBITORS Taigen Biotechnology Co., Ltd. (TW) 2012-07-25 EP disclosed
US-20110178107-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2011-07-21 US disclosed
WO-2011034518-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2011-03-24 WO disclosed
US-20110065737-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2011-03-17 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-2125757-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 WO disclosed
US-20040248779-A1 Process for the preparation of macrocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-09 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 (4 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 HDAC4 2827/4885HDAC1 1161/4885EPHX1 1057/4885
US-20110065737-A1 HCV PROTEASE INHIBITORS RNASE1, HAVCR2, CTRL HDAC4 2284/4885HDAC1 1185/4885EPHX1 1246/4885
US-20110178107-A1 HCV PROTEASE INHIBITORS HAVCR2, RNASE1, SERPINB1 HDAC4 2073/4885HDAC1 1692/4885EPHX1 1158/4885
US-20040248779-A1 Process for the preparation of macrocyclic compounds CCND2, CYP1B1, PRMT1 HDAC4 2448/4885HDAC1 879/4885EPHX1 3660/4885

“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.