SCHEMBL10201611

SCHEMBL10201611

Cn1nc(Cl)cc(Nc2ccc(OC(C)(C)C(=O)O)cn2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 4/20 0.39
PPARD Q03181 2/20 0.39
MAP4K4 O95819 2/20 0.38
PDE5A O76074 1/20 0.38
KCNH2 Q12809 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
FABP2 P12104 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
BTK Q06187 1/20 0.37
LMNA P02545 2/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL609575 0.87 PPARA (0.46) PPARAMEN1CYP1A2CYP3A4KMT2A
SCHEMBL607786 0.85 BTK (0.48) BTKP2RX3PDE10A
SCHEMBL609229 0.84 BTK (0.37) BTKP2RX3PDE10A
SCHEMBL10279193 0.83 BTK (0.38) BTKP2RX3PDE10A
SCHEMBL16248091 0.82 BTK (0.41) BTKP2RX3PDE10A
SCHEMBL608994 0.82 SYK (0.42) BTKP2RX3PDE10A
SCHEMBL610812 0.82 BTK (0.39) BTKPDE10A
SCHEMBL609693 0.80 BTK (0.42) BTKPDE10A
SCHEMBL609443 0.80 HCAR3 (0.48)
SCHEMBL14696705 0.80 BTK (0.40) BTKPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 US disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 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-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN PPARA 4596/4885MEN1 4668/4885CYP1A2 2700/4885

“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.