Sugi Predict

Sugi Predict / Compounds / SCHEMBL578173

SCHEMBL578173

SCHEMBL578173

COc1ccc(-c2cc(O)nc(-n3ccc(C(F)(F)F)n3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.56
▸ HPGD P15428 9/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ GLA P06280 2/20 0.56
▸ MAPT P10636 8/20 0.54
▸ KDM4E B2RXH2 11/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ KMT2A Q03164 4/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ ALOX15 P16050 1/20 0.51
▸ LMNA P02545 1/20 0.48
▸ THRB P10828 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ KPNA2 P52292 1/20 0.44
▸ PTGS1 P23219 1/20 0.43

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
SCHEMBL578010 0.88 ALDH1A1 (0.56) ALDH1A1HPGDSMN1; SMN2GLAMAPT
SCHEMBL578404 0.86 MAPT (0.47) ALDH1A1HPGDSMN1; SMN2GLAMAPT
SCHEMBL577980 0.85 KDM4E (0.52) ALDH1A1SMN1; SMN2GLAMAPTKDM4E
SCHEMBL578368 0.84 MAPT (0.58) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL578046 0.84 SMN1; SMN2 (0.57) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL11926442 0.82 MAPT (0.43) ALDH1A1HPGDSMN1; SMN2GLAMAPT
SCHEMBL577266 0.80 MAPT (0.47) ALDH1A1HPGDSMN1; SMN2GLAMAPT
SCHEMBL577922 0.79 IDH1 (0.49) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL577945 0.79 MAPT (0.47) ALDH1A1HPGDSMN1; SMN2GLAMAPT
SCHEMBL577978 0.79 KDM4E (0.48) ALDH1A1HPGDSMN1; SMN2GLAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353100-B2 Macrocyclic serine protease inhibitors, pharmaceutical compositions thereof, and their use for treating HCV infections IDENIX PHARMACEUTICALS LLC (US) 2016-05-31 — — US disclosed
US-9353100-B2 Macrocyclic serine protease inhibitors, pharmaceutical compositions thereof, and their use for treating HCV infections IDENIX PHARMACEUTICALS LLC (US) 2016-05-31 — — US disclosed
EP-2461811-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-20 — — EP disclosed
EP-2461811-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-20 — — EP disclosed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 — — US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 — — US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 — — US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 — — US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 — — US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 — — US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 — — EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 — — EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 — — US disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 — — US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 — — WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 — — WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 — — WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 — — US disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 — — US disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 — — 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 (3 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885HPGD 903/4885SMN1; SMN2 2642/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885HPGD 903/4885SMN1; SMN2 2642/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885HPGD 903/4885SMN1; SMN2 2642/4885

“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.