SCHEMBL203334

SCHEMBL203334

O=C(CBr)c1ccc2c(c1)COCc1cc(Br)ccc1-2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.51
SRD5A2 P31213 1/20 0.51
GSK3B P49841 10/20 0.50
PTPN1 P18031 6/20 0.41
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
ROCK2 O75116 1/20 0.36
GNG2 P59768 1/20 0.36
GNB1 P62873 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL205246 0.92 PTPN1 (0.46) SRD5A1SRD5A2GSK3BPTPN1MAPT
SCHEMBL6122584 0.86 SRD5A1 (0.69) SRD5A1SRD5A2GSK3BPTPN1MAPT
SCHEMBL14691549 0.86 SRD5A2 (0.55) SRD5A1SRD5A2GSK3BPTPN1MAPT
SCHEMBL205493 0.85 ROCK2 (0.48) SRD5A1SRD5A2GSK3BPTPN1ROCK2
SCHEMBL31394477 0.81 PTPN1 (0.47) GSK3BPTPN1MAPTTDP1GNG2
SCHEMBL204312 0.79 SRD5A1 (0.44) SRD5A1SRD5A2MAPTSLC1A3SLC1A2
SCHEMBL15405758 0.79 PTPN1 (0.42) SRD5A1SRD5A2GSK3BPTPN1ROCK2
SCHEMBL15105999 0.77 SRD5A1 (0.54) SRD5A1SRD5A2GSK3BPTPN1MAPT
SCHEMBL15106223 0.77 NPC1 (0.58) SRD5A2GSK3BPTPN1MAPTGNG2
SCHEMBL16836076 0.76 MAPT (0.50) PTPN1MAPTNPC1

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 52 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-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-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-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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

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 SRD5A1 3125/4885SRD5A2 3511/4885GSK3B 2041/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SRD5A1 3125/4885SRD5A2 3511/4885GSK3B 2041/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SRD5A1 3125/4885SRD5A2 3511/4885GSK3B 2041/4885

“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.