SCHEMBL9894964

SCHEMBL9894964

COC(=O)C(Cc1ccccc1C)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
LMNA P02545 2/20 0.42
CA2 P00918 1/20 0.39
FFAR1 O14842 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EDNRA P25101 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 1/20 0.37
EPHX2 P34913 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL9895055 0.85 PPARG (0.41) LMNACA2PTGS2EPHX2PPARG
SCHEMBL9896075 0.85 PPARG (0.41) LMNACA2PTGS2EPHX2PPARG
SCHEMBL9898533 0.78 ESR1 (0.59) ESR1ESR2EPHX2TSHR
SCHEMBL23174383 0.78 LMNA (0.49) ESR1ESR2LMNACA2MEN1
SCHEMBL9895273 0.77 ESR1 (0.48) ESR1ESR2ALDH1A1PTGS2EPHX2
SCHEMBL23174377 0.76 ESR1 (0.45) ESR1ESR2LMNACA2MEN1
SCHEMBL28670345 0.76 ALDH1A1 (0.45) KMT2AALDH1A1
SCHEMBL22338216 0.74 ESR1 (0.43) ESR1ESR2LMNACA2MEN1
SCHEMBL9894874 0.74 NPC1 (0.42) MEN1KMT2AALDH1A1PTGS2KDM4E
SCHEMBL9894873 0.74 NPC1 (0.42) MEN1KMT2AALDH1A1PTGS2KDM4E

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 ESR1 984/4885ESR2 746/4885LMNA 1951/4885

“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.