SCHEMBL2585068

SCHEMBL2585068

CN1CCN(c2cc3c(c(C(F)(F)F)c2)N(C(=O)OC(C)(C)C)c2ccc(N4CCCC4)cc2S3)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ PDK2 Q15119 1/20 0.38
▸ CTSC P53634 2/20 0.38
▸ GABRA1 P14867 2/20 0.35
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ GABRA5 P31644 2/20 0.35
▸ GABRA3 P34903 2/20 0.35
▸ GABRA6 Q16445 2/20 0.35
▸ WDR5 P61964 1/20 0.35
▸ CSF1R P07333 3/20 0.35
▸ SRPK1 Q96SB4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 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
SCHEMBL2594780 0.90 PDK2 (0.46) BCHEALDH1A1PDK2MAPTHTT
SCHEMBL9933040 0.89 BCHE (0.40) BCHEPDK2GABRA1GABRG2GABRB3
SCHEMBL2592963 0.85 LGMN (0.38) BCHEPDK2GPR119
SCHEMBL21196734 0.82 BCHE (0.41) BCHEALDH1A1PDK2GABRA1GABRG2
SCHEMBL13386133 0.80 BCHE (0.40) BCHEALDH1A1MAPTABHD6GPR119
SCHEMBL19747099 0.79 MAPT (0.43) SIRT6ALDH1A1MAPTHTT
SCHEMBL2594032 0.77 PDK2 (0.36) BCHEALDH1A1PDK2MAPTHTT
SCHEMBL13386210 0.76 BCHE (0.42) BCHEALDH1A1MAPTABHD6GPR119
SCHEMBL13386281 0.76 PIK3CA (0.41) BCHEALDH1A1PDK2MAPTGPR119
SCHEMBL21196619 0.75 MAPT (0.44) BCHEALDH1A1SRPK1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585073-B1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC (US) 2016-04-27 — — EP disclosed
US-8785434-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-07-22 — — US disclosed
EP-2585073-A1 ANTIVIRAL COMPOUNDS Prostetta Antiviral Inc. (US) 2013-05-01 — — EP disclosed
CN-102958525-A Antiviral compounds PROSTETTA ANTIVIRAL INC 2013-03-06 — — CN disclosed
US-20120157435-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-06-21 — — US disclosed
WO-2011137447-A1 ANTIVIRAL COMPOUNDS PROSTETTA ANTIVIRAL INC. (US) 2011-11-03 — — 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 (1 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-20120157435-A1 Antiviral Compounds MAVS, ZC3HAV1, EIF2AK2 SIRT6 505/4885BCHE 1570/4885ALDH1A1 1573/4885

“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