SCHEMBL1782225

SCHEMBL1782225

O=C(O)c1cc2c(s1)[C@H]1CCC[C@@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
DAO P14920 4/20 0.38
ALDH1A1 P00352 2/20 0.38
GPR35 Q9HC97 3/20 0.35
BCL2L1 Q07817 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ACMSD Q8TDX5 2/20 0.32
KMO O15229 2/20 0.32
GLS O94925 3/20 0.32
RARG P13631 2/20 0.31
RARB P10826 1/20 0.31

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
SCHEMBL1784509 1.00 HCAR2 (0.38) HCAR2DAOALDH1A1GPR35BCL2L1
SCHEMBL1782124 0.93 GPR35 (0.37) HCAR2DAOALDH1A1GPR35BCL2L1
SCHEMBL1783320 0.93 GPR35 (0.37) HCAR2DAOALDH1A1GPR35BCL2L1
SCHEMBL1784916 0.93 GPR35 (0.37) HCAR2DAOALDH1A1GPR35BCL2L1
SCHEMBL1422730 0.86 GPR35 (0.39) HCAR2DAOALDH1A1GPR35BCL2L1
SCHEMBL1422758 0.86 GPR35 (0.39) DAOALDH1A1GPR35BCL2L1KDM4E
SCHEMBL13363462 0.78 RARG (0.35) GPR35MAPTRARGRARB
SCHEMBL1422495 0.78 MAP3K14 (0.39)
SCHEMBL14878260 0.73 DAO (0.38) HCAR2DAOALDH1A1GPR35BCL2L1
SCHEMBL17058612 0.72

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
EP-2297105-B1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2015-09-02 EP disclosed
US-8426424-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2013-04-23 US disclosed
US-8426424-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2013-04-23 US disclosed
US-8426424-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2013-04-23 US disclosed
US-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof CGI PHARMACEUTICALS, INC. 2011-05-19 US disclosed
US-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof CGI PHARMACEUTICALS, INC. 2011-05-19 US disclosed
US-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof CGI PHARMACEUTICALS, INC. 2011-05-19 US disclosed
WO-2009137596-A1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2009-11-12 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 (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-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof BTK, SYK, MYD88 HCAR2 2363/4885DAO 1474/4885ALDH1A1 3393/4885

“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.