SCHEMBL6697084

SCHEMBL6697084

CCCC[Sn](CCCC)(CCCC)COCCOCC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 3/20 0.32
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL509694 0.88 LMNA (0.30) TSHR
SCHEMBL1680605 0.86 TSHR (0.32) TSHR
SCHEMBL1680269 0.86 TSHR (0.42) ALDH1A1TSHRMEN1THRBHTT
SCHEMBL3151320 0.84 CYP3A4 (0.33) TSHRMEN1THRBHTTKMT2A
SCHEMBL4881159 0.83 TSHR (0.33) TSHRTHRB
SCHEMBL1023994 0.81 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL9646025 0.81 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL31515197 0.80 TSHR (0.54) ALDH1A1TSHRMEN1THRBHTT
SCHEMBL20165967 0.80 DNM1 (0.33) ALDH1A1TSHRMEN1KMT2ACYP3A4
SCHEMBL21491326 0.78 CYP3A4 (0.43) ALDH1A1TSHRMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831096-B2 Effective against both A and B forms of influenza; oral bioavailability ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20040097471-A1 Inhibitors of neuraminidases ABBVIE INC. 2004-05-20 US disclosed
EP-1358154-A2 PYRROLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF NEURAMINIDASES Abbott Laboratories (US) 2003-11-05 EP disclosed
US-6593314-B1 Useful in the inhibition of neuraminidase enzymes from disease- causing microorganisms, especially influenza neuraminidase, pharmaceutical formulations containing same, processes and intermediates for preparing said compounds, ABBOTT LABORATORIES 2003-07-15 US disclosed
EP-1315698-A1 PYRROLIDINES AS INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2003-06-04 EP disclosed
US-6455571-B1 ESPECIALLY, INFLUENZA NEURAMINIDASE. ABBOTT LABORATORIES 2002-09-24 US disclosed
WO-2001029050-A2 CONDENSED PYRROLE DERIVATIVES AS NEURAMINIDASE INHIBITORS ABBOTT LABORATORIES (US) 2001-04-26 WO disclosed
WO-2001028981-A1 1-CYCLOHEXENE-1-CARBOXYLIC ACID AND 1-CYCLOHEXENE-1-CARBOXYLATES AS NEURAMINIDASE INHIBITORS ABBOTT LABORATORIES (US) 2001-04-26 WO disclosed
WO-2001028996-A2 PYRROLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-26 WO disclosed
WO-1999054299-A1 PYRROLIDINES AS INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 1999-10-28 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-20040097471-A1 Inhibitors of neuraminidases NEU1, NEU2, NEU4 ALDH1A1 320/4885TSHR 1226/4885MEN1 969/4885

“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.