SCHEMBL577761

SCHEMBL577761

COc1ccc2[c]cc(-c3cc(C(C)C)on3)nc2c1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
STAT3 P40763 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL578177 0.87 ALDH1A1 (0.36) ALDH1A1MEN1CYP1A2MAPK1CYP2C19
SCHEMBL577561 0.86 ALDH1A1 (0.38) ALDH1A1MEN1CYP1A2MAPK1CYP2C19
SCHEMBL577948 0.86 ALDH1A1 (0.36) ALDH1A1MEN1CYP1A2MAPK1CYP2C19
SCHEMBL8005223 0.78 ALDH1A1 (0.36) ALDH1A1MEN1CYP1A2MAPK1CYP2C19
SCHEMBL577164 0.77 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7995957 0.77 ALDH1A1 (0.36) ALDH1A1MEN1CYP1A2MAPK1CYP2C19
SCHEMBL577501 0.75 ALDH1A1 (0.38) ALDH1A1MEN1CYP1A2MAPK1KMT2A
SCHEMBL577382 0.74 SMN1; SMN2 (0.32) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL577809 0.74 APLNR (0.33) ALDH1A1MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL577695 0.73 ALDH1A1 (0.42) ALDH1A1MEN1CYP1A2MAPK1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US claimed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US claimed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US claimed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US claimed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP claimed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP claimed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US claimed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO claimed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO claimed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US claimed
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
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
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
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 1913/4885MEN1 3502/4885CYP1A2 744/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885MEN1 3502/4885CYP1A2 744/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885MEN1 3502/4885CYP1A2 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.