SCHEMBL313502

SCHEMBL313502

COc1ccc2c(O)cc(-c3csc(C(C)C)n3)nc2c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 3/20 0.35
RECQL P46063 1/20 0.35
GFER P55789 1/20 0.35
MAPT P10636 5/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
POLB P06746 3/20 0.34
RAB9A P51151 3/20 0.34
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 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
SCHEMBL11951314 0.90 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1952194 0.88 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1954704 0.87 ACACB (0.32) CYP2C9CYP2C19
SCHEMBL8008865 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL10220709 0.85 KDM4E (0.34) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL10221676 0.85 ALDH1A1 (0.37) ALDH1A1GAAKDM4ERECQLGFER
SCHEMBL693184 0.84 TYR (0.47) ALDH1A1GAAKDM4EMAPTMEN1
SCHEMBL4020062 0.84 ALDH1A1 (0.33) ALDH1A1GAAKDM4ERECQLGFER
SCHEMBL16579247 0.83 KDM4E (0.34) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL15766301 0.81 MGAM (0.32) ALDH1A1GAAKDM4ERECQLGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080569-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-03-19 US disclosed
US-20150080569-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-03-19 US disclosed
US-8809266-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-8809266-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20130274439-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2013-10-17 US disclosed
US-20130274439-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2013-10-17 US disclosed
EP-2250174-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2013-08-28 EP disclosed
US-8420597-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-04-16 US disclosed
US-8420597-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-04-16 US disclosed
US-20130053577-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-02-28 US disclosed
US-20120190866-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-07-26 US disclosed
US-8178491-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-05-15 US disclosed
US-8178491-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-05-15 US disclosed
US-8093379-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-8003659-B2 Macrocyclic serine protease inhibitors INDENIX PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-01-21 US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 US disclosed
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-08-13 US disclosed
WO-2009005676-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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-20130274439-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885GAA 151/4885KDM4E 2496/4885
US-20090257978-A1 Antiviral coumpounds MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2504/4885GAA 135/4885KDM4E 2399/4885
US-20130053577-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885GAA 151/4885KDM4E 2496/4885
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1790/4885GAA 368/4885KDM4E 3667/4885
US-20120190866-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885GAA 151/4885KDM4E 2496/4885
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1790/4885GAA 368/4885KDM4E 3667/4885
US-20150080569-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885GAA 151/4885KDM4E 2496/4885

“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.