SCHEMBL9896291

SCHEMBL9896291

CS(=O)(=O)c1ccc(C(Cc2cccc(F)c2)C(=O)Nc2cnc(CO)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.39
PDE4A P27815 5/20 0.39
PDE4B Q07343 5/20 0.39
PDE4C Q08493 5/20 0.39
PDE4D Q08499 5/20 0.39
GCK P35557 3/20 0.38
CHEK1 O14757 1/20 0.37
NAMPT P43490 5/20 0.36
KCNH2 Q12809 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
AURKB Q96GD4 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
ESR1 P03372 1/20 0.34
ESRRG P62508 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
SCHEMBL9896686 0.90 TRPV1 (0.37) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL9897486 0.89 GCK (0.40) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL9896482 0.89 GCK (0.40) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL9895197 0.89 GCK (0.40) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL9894999 0.79 HDAC3 (0.38) GCKNAMPTRAB9A
SCHEMBL9895724 0.79 GCK (0.39) GCKCHEK1GPR55ESR1
SCHEMBL9895741 0.78 GCK (0.38) GCKCHEK1GPR55ESR1
SCHEMBL9894872 0.78 GCK (0.38) GCKCHEK1GPR55
SCHEMBL9895190 0.77 GCK (0.43) GCKCHEK1KCNH2GPR55
SCHEMBL9894675 0.76 GCK (0.41) CYP2C9PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 US claimed
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 US disclosed
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 CYP2C9 592/4885PDE4A 671/4885PDE4B 613/4885

“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.