SCHEMBL10193267

SCHEMBL10193267

O=C(O)[C@H](C(=O)Oc1ccccc1)[C@H](C(=O)O)C(=O)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ELANE P08246 3/20 0.47
TDP1 Q9NUW8 2/20 0.45
SLC1A3 P43003 1/20 0.44
ALOX15 P16050 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GAA P10253 1/20 0.41
NSD2 O96028 1/20 0.41
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL12884247 1.00 ATM (0.52) ATML3MBTL1ELANETDP1SLC1A3
SCHEMBL28161816 0.93 ATM (0.50) ATML3MBTL1ELANETDP1SLC1A3
SCHEMBL19105361 0.83 ATM (0.58) ATML3MBTL1ELANETDP1ALOX15
SCHEMBL28693937 0.82 ATM (0.52) ATML3MBTL1ELANETDP1SLC1A3
SCHEMBL31086956 0.81 ATM (0.55) ATML3MBTL1ELANETDP1SLC1A3
SCHEMBL13044908 0.81 LMNA (0.55) L3MBTL1ELANEALDH1A1GAA
SCHEMBL18658472 0.80 ATM (0.50) ATML3MBTL1ELANETDP1SLC1A3
SCHEMBL19105390 0.79 ATM (0.54) ATML3MBTL1ELANETDP1ALOX15
SCHEMBL4191464 0.79 ATM (0.58) ATML3MBTL1ELANETDP1SLC1A3
SCHEMBL13517020 0.79 ATM (0.53) ATML3MBTL1ELANETDP1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2422791-A1 Antiviral phosphinate compounds Gilead Sciences, Inc. (US) 2012-02-29 EP disclosed
US-20110306541-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2011-12-15 US disclosed
EP-2316839-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-05-04 EP disclosed
US-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-07 US disclosed
US-20110081314-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-07 US disclosed
US-7893264-B2 viricides comprising phosphinic acid compounds and/or mixed with carriers, nucleoside analogues, interferons or pegylated interferons; treating hepatitis C or a hepatitis C associated disorders in animals; side effect reduction GILEAD SCIENCES, INC. (US) 2011-02-22 US disclosed
US-7642339-B2 Hepatitis C; 1-benzyloxycarbonylamino-2-vinyl-cyclopropyl)-phenyl-phosphinic acid ethyl ester GILEAD SCIENCES, INC. (US) 2010-01-05 US disclosed
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-09-10 US disclosed
US-20080311077-A1 Antiviral Compounds GILEAD SCIENCES, INC. 2008-12-18 US disclosed
US-20080057031-A1 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2008-03-06 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 (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-20110306541-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC ATM 4619/4885L3MBTL1 3843/4885ELANE 72/4885
US-20080057031-A1 Antiviral phosphinate compounds PHOSPHO1, MAVS, ITPA ATM 2683/4885L3MBTL1 2134/4885ELANE 2970/4885
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS PHOSPHO1, MAVS, ITPA ATM 2683/4885L3MBTL1 2134/4885ELANE 2970/4885
US-20110081314-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS PHOSPHO1, MAVS, ITPA ATM 2683/4885L3MBTL1 2134/4885ELANE 2970/4885
US-20080311077-A1 Antiviral Compounds EIF2AK2, MAVS, ITPA ATM 3849/4885L3MBTL1 2153/4885ELANE 2139/4885
US-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS HAVCR2, PHOSPHO1, EIF2AK2 ATM 4198/4885L3MBTL1 2855/4885ELANE 1326/4885

“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.