SCHEMBL1784916

SCHEMBL1784916

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.37
BCL2L1 Q07817 1/20 0.37
DAO P14920 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RARG P13631 2/20 0.35
RARB P10826 1/20 0.35
HCAR2 Q8TDS4 2/20 0.35
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
NOTUM Q6P988 1/20 0.32
ALOX15 P16050 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
SCHEMBL1782124 1.00 GPR35 (0.37) GPR35BCL2L1DAOALDH1A1KDM4E
SCHEMBL1783320 1.00 GPR35 (0.37) GPR35BCL2L1DAOALDH1A1KDM4E
SCHEMBL1782225 0.93 HCAR2 (0.38) GPR35BCL2L1DAOALDH1A1KDM4E
SCHEMBL1784509 0.93 HCAR2 (0.38) GPR35BCL2L1DAOALDH1A1KDM4E
SCHEMBL1422730 0.93 GPR35 (0.39) GPR35BCL2L1DAOALDH1A1KDM4E
SCHEMBL1422758 0.89 GPR35 (0.39) GPR35BCL2L1DAOALDH1A1KDM4E
SCHEMBL1422495 0.84 MAP3K14 (0.39) NOTUM
SCHEMBL13363462 0.84 RARG (0.35) GPR35MAPTRARGRARBLMNA
SCHEMBL1780267 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL10148360 0.76 DAO (0.55) GPR35BCL2L1DAOALDH1A1KDM4E

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
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

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 GPR35 472/4885BCL2L1 1054/4885DAO 1474/4885

“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.