SCHEMBL2708516

SCHEMBL2708516

O=C(CCl)c1ccc2c(c1)C(F)(F)c1cc(Br)ccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.42
▸ PDK2 Q15119 3/20 0.40
▸ USP2 O75604 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAF1 P04049 1/20 0.37
▸ TRPA1 O75762 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ SRD5A1 P18405 1/20 0.35
▸ SRD5A2 P31213 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL15083844 0.88 GSK3B (0.53) GSK3BPDK2ALDH1A1HPGDSRD5A1
SCHEMBL28270044 0.84 PDK2 (0.47) GSK3BPDK2ALDH1A1TRPA1MAPK1
SCHEMBL19792212 0.82 GSK3B (0.42) GSK3BPDK2ALDH1A1RAF1TRPA1
SCHEMBL20462081 0.80 MAPT (0.36) GSK3BPDK2ALDH1A1HPGDMAPT
SCHEMBL14692626 0.79 GSK3B (0.50) GSK3BPDK2
SCHEMBL18129375 0.79 GSK3B (0.53) GSK3BPDK2ALDH1A1HPGDSRD5A1
SCHEMBL1793318 0.77 THRA (0.45) PDK2USP2F2L3MBTL1MAPT
SCHEMBL29540403 0.77 PDK2 (0.48) PDK2CA1CA2CA4CA7
SCHEMBL206283 0.77 PDK2 (0.48) PDK2CA1CA2CA4CA7
SCHEMBL10965051 0.76 SRD5A2 (0.54) GSK3BUSP2F2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 — — EP disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 — — EP disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 — — US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 — — US disclosed
EP-2855478-B1 LEDIPASVIR D-TARTRATE GILEAD PHARMASSET LLC (US) 2018-08-08 — — EP disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 — — EP disclosed
US-20180079744-A1 METHOD OF PREPARATION FOR LEDIPASVIR AND DERIVATIVE THEREOF, AND INTERMEDIATE COMPOUND FOR PREPARATION OF LEDIPASVIR SHANGHAI FOREFRONT PHARMACEUTICAL CO LTD (CN) 2018-03-22 — — US disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 — — EP disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 — — EP disclosed
EP-3272747-A1 METHOD OF PREPARATION FOR LEDIPASVIR AND DERIVATIVE THEREOF, AND INTERMEDIATE COMPOUND FOR PREPARATION OF LEDIPASVIR Shanghai Forefront Pharmceutical Co., Ltd (CN) 2018-01-24 — — EP 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
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 — — US disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 — — WO disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 — — WO 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
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 (5 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-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 GSK3B 2041/4885PDK2 2856/4885USP2 2387/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GSK3B 2041/4885PDK2 2856/4885USP2 2387/4885
US-20180079744-A1 METHOD OF PREPARATION FOR LEDIPASVIR AND DERIVATIVE THEREOF, AND INTERMEDIATE COMPOUND FOR PREPARATION OF LEDIPASVIR POLI, SAMHD1, TYMP GSK3B 482/4885PDK2 231/4885USP2 3538/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GSK3B 2041/4885PDK2 2856/4885USP2 2387/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GSK3B 2041/4885PDK2 2856/4885USP2 2387/4885

“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.

Send feedback