SCHEMBL9896686

SCHEMBL9896686

CC(=O)OCc1cnc(NC(=O)C(Cc2cccc(F)c2)c2ccc(S(C)(=O)=O)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
CYP2C9 P11712 5/20 0.37
PDE4A P27815 5/20 0.37
PDE4B Q07343 5/20 0.37
PDE4C Q08493 5/20 0.37
PDE4D Q08499 5/20 0.37
CHEK1 O14757 1/20 0.36
GCK P35557 1/20 0.36
NAMPT P43490 3/20 0.35
ROCK2 O75116 1/20 0.35
ACACB O00763 1/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
STAT1 P42224 1/20 0.34
RAB9A P51151 1/20 0.34
PTGS2 P35354 1/20 0.34
FFAR1 O14842 1/20 0.34
MMP1 P03956 1/20 0.34

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
SCHEMBL9895741 0.90 GCK (0.38) CHEK1GCKPTGS2
SCHEMBL9896291 0.90 CYP2C9 (0.39) TRPV1CYP2C9PDE4APDE4BPDE4C
SCHEMBL9895724 0.81 GCK (0.39) CHEK1GCK
SCHEMBL9894872 0.80 GCK (0.38) CHEK1GCKGAA
SCHEMBL9896482 0.78 GCK (0.40) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL9897486 0.78 GCK (0.40) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL9895197 0.78 GCK (0.40) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL9895273 0.76 ESR1 (0.48) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL9894999 0.76 HDAC3 (0.38) GCKNAMPTRAB9APTGS2
SCHEMBL9895190 0.74 GCK (0.43) CHEK1GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 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-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 TRPV1 25/4885CYP2C9 592/4885PDE4A 671/4885

“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.