SCHEMBL15083844

SCHEMBL15083844

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.53
▸ PTPN1 P18031 6/20 0.43
▸ PDK2 Q15119 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SRD5A1 P18405 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 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
SCHEMBL14692626 0.92 GSK3B (0.50) GSK3BPTPN1PDK2
SCHEMBL18129375 0.91 GSK3B (0.53) GSK3BPTPN1PDK2ALDH1A1HPGD
SCHEMBL2708516 0.88 GSK3B (0.42) GSK3BPDK2ALDH1A1HPGDSRD5A1
SCHEMBL14691381 0.86 GSK3B (0.51) GSK3BPTPN1PDK2ALDH1A1HPGD
SCHEMBL16868638 0.84 GSK3B (0.46) GSK3BPTPN1PDK2ALDH1A1HPGD
SCHEMBL20462081 0.82 MAPT (0.36) GSK3BPDK2ALDH1A1HPGDSRD5A1
SCHEMBL16891304 0.82 PTPN1 (0.50) GSK3BPTPN1PDK2
SCHEMBL16868667 0.81 GSK3B (0.46) GSK3BPTPN1PDK2ALDH1A1SRD5A1
SCHEMBL206283 0.79 PDK2 (0.48) PDK2
SCHEMBL29540403 0.79 PDK2 (0.48) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2797911-B1 HETERO-BICYCLIC DERIVATIVES AS HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2015-10-28 — — EP disclosed
US-9126986-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2015-09-08 — — US disclosed
US-9126986-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2015-09-08 — — US disclosed
US-20140357626-A1 Hetero-Bicyclic Derivatives As HCV Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2014-12-04 — — US disclosed
US-20140357626-A1 Hetero-Bicyclic Derivatives As HCV Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2014-12-04 — — US disclosed
WO-2013098313-A1 HETERO-BICYCLIC DERIVATIVES AS HCV INHIBITORS JANSSEN R&D IRELAND (IE) 2013-07-04 — — 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 (2 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-20180079744-A1 METHOD OF PREPARATION FOR LEDIPASVIR AND DERIVATIVE THEREOF, AND INTERMEDIATE COMPOUND FOR PREPARATION OF LEDIPASVIR POLI, SAMHD1, TYMP GSK3B 482/4885PTPN1 4176/4885PDK2 231/4885
US-20140357626-A1 Hetero-Bicyclic Derivatives As HCV Inhibitors HAVCR2, ZC3HAV1, SUB1 GSK3B 797/4885PTPN1 1833/4885PDK2 4181/4885

“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.

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