SCHEMBL1104020

SCHEMBL1104020

C=CCCCCCNC(=O)[C@@H]1C[C@@H](O)C[C@H]1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ABCC4 O15439 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.34
DDAH1 O94760 2/20 0.34
EPHX2 P34913 1/20 0.32
NAAA Q02083 1/20 0.31

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
SCHEMBL3590647 1.00 POLB (0.40) POLBABCC4MAPTALDH1A1KMT2A
SCHEMBL10303857 0.87 POLB (0.43) POLBABCC4MAPTALDH1A1KMT2A
SCHEMBL17121284 0.82 POLB (0.41) POLBABCC4MAPTALDH1A1KMT2A
SCHEMBL12951832 0.82 DDAH1 (0.33) POLBABCC4MAPTALDH1A1LMNA
SCHEMBL3588661 0.81 EPHX2 (0.32) ABCC4MAPTEPHX2
SCHEMBL7687818 0.80 POLB (0.37) POLBALDH1A1KMT2ADDAH1
SCHEMBL14850987 0.80 POLB (0.35) POLBABCC4MAPTALDH1A1KMT2A
SCHEMBL10303835 0.76 EPHX2 (0.34) ALDH1A1LMNAEPHX2NAAA
SCHEMBL19215358 0.75 ALDH1A1 (0.42) POLBABCC4MAPTALDH1A1KMT2A
SCHEMBL14548729 0.74 POLB (0.47) POLBABCC4MAPTALDH1A1KMT2A

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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 US disclosed
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Janssen Sciences Ireland Unlimited Company (IE) 2016-08-18 US disclosed
US-9353103-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2016-05-31 US disclosed
EP-2937339-A1 Macrocylic inhibitors of hepatitis c virus Janssen Sciences Ireland UC (IE) 2015-10-28 EP disclosed
US-20150218153-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN R & D IRELAND (IE) 2015-08-06 US disclosed
US-20150218153-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN R & D IRELAND (IE) 2015-08-06 US disclosed
US-9040562-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2015-05-26 US disclosed
US-20140255347-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN R&D IRELAND (IE) 2014-09-11 US disclosed
US-8754106-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2014-06-17 US disclosed
US-8349869-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2013-01-08 US disclosed
US-20120171157-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2012-07-05 US disclosed
US-8153800-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-04-10 US disclosed
US-8148399-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-04-03 US disclosed
US-8148399-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-04-03 US disclosed
US-20110295012-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2011-12-01 US disclosed
EP-2322516-A1 Intermediates for the preparation of Macrocyclic inhibitors of hepatitis c virus Tibotec Pharmaceuticals Ltd. (IE) 2011-05-18 EP disclosed
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus MEDIVIR AB (SE) 2009-11-12 US disclosed
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus MEDIVIR AB (SE) 2009-11-12 US disclosed
WO-2007014926-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS POLB 2176/4885ABCC4 1022/4885MAPT 4865/4885
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus CYP2A7, CYP3A7, HCCS POLB 2176/4885ABCC4 1022/4885MAPT 4865/4885
US-20140255347-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS POLB 2176/4885ABCC4 1022/4885MAPT 4865/4885
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS POLB 2176/4885ABCC4 1022/4885MAPT 4865/4885
US-20110295012-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, HCCS, CYP3A7 POLB 2316/4885ABCC4 1024/4885MAPT 4871/4885
US-20120171157-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS POLB 2176/4885ABCC4 1022/4885MAPT 4865/4885
US-20150218153-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS POLB 2176/4885ABCC4 1022/4885MAPT 4865/4885

“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.