SCHEMBL3709447

SCHEMBL3709447

COCCN1CC(=O)N(CCc2cccs2)C(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.51
CA2 P00918 6/20 0.51
CA5A P35218 2/20 0.51
CA7 P43166 2/20 0.51
CA5B Q9Y2D0 2/20 0.51
ALDH1A1 P00352 8/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
BLM P54132 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
CA9 Q16790 2/20 0.40

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
SCHEMBL3703009 0.94 CA1 (0.56) CA1CA2CA5ACA7CA5B
SCHEMBL3707205 0.91 CA1 (0.53) CA1CA2CA5ACA7CA5B
SCHEMBL3705173 0.90 KMT2A (0.43) CA1CA2CA5ACA7CA5B
SCHEMBL3697169 0.89 MAPT (0.47) ALDH1A1KDM4ETAAR1MEN1KMT2A
SCHEMBL3708113 0.89 HPGD (0.53) ALDH1A1HTTKDM4EMEN1KMT2A
SCHEMBL3695715 0.89 CA2 (0.52) CA1CA2CA5ACA7CA5B
SCHEMBL3700895 0.88 MEN1 (0.41) ALDH1A1HTTL3MBTL1MEN1KMT2A
SCHEMBL3698041 0.87 KMT2A (0.47) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL9885457 0.87 KMT2A (0.41) CA1CA2CA5ACA7CA5B
SCHEMBL3710490 0.85 ALDH1A1 (0.50) ALDH1A1HTTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
US-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
US-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
EP-2460798-A2 APAF-1 INHIBITOR COMPOUNDS Laboratorios SALVAT, S.A. (ES) 2012-06-06 EP disclosed
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 US disclosed
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 US disclosed
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 US 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-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS APAF1, API5, AIFM1 CA1 1810/4885CA2 2622/4885CA5A 520/4885

“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.