SCHEMBL205860

SCHEMBL205860

CNC(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
FPR2 P25090 1/20 0.49
MAPK1 P28482 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
GAA P10253 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
PLA2G2A P14555 1/20 0.42
PLA2G5 P39877 1/20 0.42

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
SCHEMBL748887 1.00 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1FPR2MAPK1POLB
SCHEMBL19521116 0.84 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1FPR2
SCHEMBL19521114 0.84 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1FPR2
SCHEMBL9284282 0.81 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1FPR2MAPK1POLB
SCHEMBL13686130 0.81 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1FPR2MAPK1POLB
SCHEMBL10792981 0.81 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1FPR2MAPK1POLB
SCHEMBL13530960 0.79 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1FPR2MAPK1POLB
SCHEMBL893525 0.79 HPGDS (0.36) SMN1; SMN2ALDH1A1FPR2POLBGAA
SCHEMBL893526 0.79 HPGDS (0.36) SMN1; SMN2ALDH1A1FPR2POLBGAA
SCHEMBL8350093 0.77 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TSHRGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed
US-9045463-B2 Phenyl ethynyl derivatives as hepatitis C virus inhibitors JANSSEN R&D IRELAND (IE) 2015-06-02 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-8273341-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-09-25 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
EP-2462136-A1 PHENYL ETHYNYL DERIVATIVES AS HEPATITIS C VIRUS INHIBITORS Janssen R&D Ireland (IE) 2012-06-13 EP disclosed
US-20120136027-A1 Phenyl Ethynyl Derivatives As Hepatitis C Virus Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2012-05-31 US disclosed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
WO-2011015657-A1 PHENYL ETHYNYL DERIVATIVES AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-02-10 WO disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 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 (6 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SMN1; SMN2 1564/4885ALDH1A1 3957/4885FPR2 4293/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SMN1; SMN2 1564/4885ALDH1A1 3957/4885FPR2 4293/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SMN1; SMN2 1564/4885ALDH1A1 3957/4885FPR2 4293/4885
US-20120136027-A1 Phenyl Ethynyl Derivatives As Hepatitis C Virus Inhibitors HAVCR2, ZC3HAV1, EIF2AK2 SMN1; SMN2 4797/4885ALDH1A1 783/4885FPR2 3803/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SMN1; SMN2 1564/4885ALDH1A1 3957/4885FPR2 4293/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SMN1; SMN2 1564/4885ALDH1A1 3957/4885FPR2 4293/4885

“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.