SCHEMBL205374

SCHEMBL205374

CCOC(=O)c1ccc(-n2ccc(C(=O)O)cc2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
HSP90AA1 P07900 1/20 0.54
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
IDO1 P14902 1/20 0.52
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47

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
SCHEMBL204057 0.82 DDAH1 (0.48) HTTALDH1A1HPGDNPSR1TDP1
SCHEMBL9977167 0.79 KMT2A (0.49) ALDH1A1HPGDNPSR1TDP1SMN1; SMN2
SCHEMBL3593570 0.78 HTT (0.57) HTTALDH1A1HPGDHSP90AA1CACNA1B
Terephthalic Acid SCHEMBL28214246 0.77 CA1 (0.70) HTTALDH1A1HPGDHSP90AA1CACNA1B
Terephthalic Acid SCHEMBL28214245 0.77 CA1 (0.70) HTTALDH1A1HPGDHSP90AA1CACNA1B
SCHEMBL27063 0.77 CA1 (0.70) HTTALDH1A1HPGDHSP90AA1CACNA1B
SCHEMBL3581132 0.75 SMN1; SMN2 (0.56) ALDH1A1HPGDTDP1SMN1; SMN2MAPT
Benzene SCHEMBL28877605 0.75 CA1 (0.68) HTTALDH1A1HPGDHSP90AA1CACNA1B
SCHEMBL8996781 0.75 CA1 (0.68) HTTALDH1A1HPGDHSP90AA1CACNA1B
SCHEMBL10549946 0.75 CA1 (0.68) HTTALDH1A1HPGDHSP90AA1CACNA1B

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 46 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
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
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-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
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US 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
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 (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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HTT 1294/4885ALDH1A1 3957/4885HPGD 3745/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HTT 1294/4885ALDH1A1 3957/4885HPGD 3745/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HTT 1294/4885ALDH1A1 3957/4885HPGD 3745/4885

“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.