SCHEMBL314374

SCHEMBL314374

COc1cc(OC)c2c(O)cc(-c3nc(C(C)C)cs3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 7/20 0.37
CYP1B1 Q16678 7/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP4B1 P13584 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP3A5 P20815 1/20 0.37
CYP2A7 P20853 1/20 0.37
CYP3A7 P24462 1/20 0.37
CYP2F1 P24903 1/20 0.37
CYP2C18 P33260 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP2J2 P51589 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4F8 P98187 1/20 0.37

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
SCHEMBL8006682 0.87 PDE3B (0.40) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL8002114 0.86 CYP1A1 (0.37) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL313100 0.80 CYP19A1 (0.40) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL7993473 0.77 PDE3B (0.36) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL577547 0.77 CYP1A1 (0.37) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL8244066 0.76 SMN1; SMN2 (0.54) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL314417 0.76 PDE3B (0.33) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL313532 0.74 CYP1B1 (0.35) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL313693 0.74 CTSS (0.38) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL12362342 0.71 KDM4E (0.41) CYP1A1CYP1B1CYP1A2CYP2C19MAPT

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 23 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
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-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
EP-2250174-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2013-08-28 EP disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
WO-2012109398-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2012-08-16 WO disclosed
US-20120207703-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP 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
EP-2250174-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2010-11-17 EP 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-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-01-21 US disclosed
WO-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-08-13 US disclosed
US-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I IDENIX PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
WO-2009014730-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-01-29 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 (7 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-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP1A1 798/4885CYP1B1 651/4885CYP1A2 773/4885
US-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I SERPINB1, SPINT2, PRSS1 CYP1A1 613/4885CYP1B1 451/4885CYP1A2 639/4885
US-20120207703-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS PRSS1, SERPINB1, SPINT2 CYP1A1 822/4885CYP1B1 566/4885CYP1A2 710/4885
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP1A1 798/4885CYP1B1 651/4885CYP1A2 773/4885
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP1A1 829/4885CYP1B1 530/4885CYP1A2 744/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP1A1 829/4885CYP1B1 530/4885CYP1A2 744/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 CYP1A1 829/4885CYP1B1 530/4885CYP1A2 744/4885

“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.