SCHEMBL3214970

SCHEMBL3214970

O=C(OCc1ccccc1)N1CCC[C@H]1c1nc2ccc(-c3ccc4[nH]ccc4c3)cc2o1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.47
USP30 Q70CQ3 3/20 0.43
AADAT Q8N5Z0 2/20 0.41
SCD5 Q86SK9 1/20 0.40
TMEM97 Q5BJF2 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
PREP P48147 1/20 0.39
CPT2 P23786 2/20 0.38
CPT1A P50416 2/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3200657 1.00 ENPP2 (0.47) ENPP2USP30AADATSCD5TMEM97
SCHEMBL3224392 0.85 ENPP2 (0.48) ENPP2USP30AADAT
SCHEMBL3219705 0.85 ENPP2 (0.48) ENPP2USP30AADAT
SCHEMBL10173039 0.85 ENPP2 (0.46) ENPP2USP30AADATTMEM97SIGMAR1
SCHEMBL3220063 0.82 AADAT (0.48) ENPP2AADATTMEM97SIGMAR1PREP
SCHEMBL3220048 0.82 AADAT (0.48) ENPP2AADATTMEM97SIGMAR1PREP
SCHEMBL10117812 0.82 AADAT (0.46) AADATSCD5TMEM97SIGMAR1PREP
SCHEMBL3215248 0.82 ENPP2 (0.43) ENPP2USP30AADATSCD5CPT1A
SCHEMBL3215257 0.82 ENPP2 (0.43) ENPP2USP30AADATSCD5CPT1A
SCHEMBL3219446 0.80 USP30 (0.48) USP30AADAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
EP-2097405-A2 ANTI-VIRAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-09-09 EP disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
WO-2008070447-A2 ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
WO-2008070447-A2 ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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-20080193411-A1 Anti-viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 ENPP2 1731/4885USP30 4072/4885AADAT 2338/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 ENPP2 1731/4885USP30 4072/4885AADAT 2338/4885

“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.