SCHEMBL9895033

SCHEMBL9895033

Cc1ccccc1CC(C(=O)Nc1cnc(Br)cn1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
GCK P35557 10/20 0.37
NPC1 O15118 2/20 0.37
KCNH2 Q12809 1/20 0.35
TSHR P16473 1/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOTUM Q6P988 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL9894675 0.83 GCK (0.41) GCKPTGS2
SCHEMBL9892933 0.77 GCK (0.62) GCKKCNH2
SCHEMBL9896075 0.75 PPARG (0.41) PTGS2
SCHEMBL9895055 0.75 PPARG (0.41) PTGS2
SCHEMBL9896932 0.74 NPC1 (0.42) GCKNPC1PTGS2RAB9ASMN1; SMN2
SCHEMBL9894873 0.74 NPC1 (0.42) GCKNPC1PTGS2RAB9ASMN1; SMN2
SCHEMBL9894874 0.74 NPC1 (0.42) GCKNPC1PTGS2RAB9ASMN1; SMN2
SCHEMBL9895190 0.74 GCK (0.43) GCKKCNH2
SCHEMBL9894964 0.74 ESR1 (0.45) GAATSHRPTGS2
SCHEMBL9897486 0.71 GCK (0.40) GCKPTGS2

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 GAA 1419/4885THRB 1399/4885GCK 1756/4885

“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.