SCHEMBL1660103

SCHEMBL1660103

CC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
NOTUM Q6P988 1/20 0.40
CES2 O00748 1/20 0.40
MAOB P27338 4/20 0.39
ADCY8 P40145 3/20 0.37
ADCY1 Q08828 3/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
PREP P48147 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL6114920 0.86 CA12 (0.41) MAOBMAPTCA12CA1CA9
SCHEMBL1660483 0.81 MLYCD (0.42) NOTUMADCY8ADCY1
SCHEMBL1189514 0.78 RXRA (0.48) RXRARXRBRXRGNOTUMCES2
SCHEMBL15209167 0.76 NOTUM (0.41) NOTUMCA12CA1CA9PREP
SCHEMBL96116 0.75 CES2 (0.67) RXRARXRBRXRGNOTUMCES2
SCHEMBL28868760 0.74 KIF11 (0.49) RXRARXRBRXRGNOTUMCES2
SCHEMBL341880 0.74 KMT2A (0.53) MAOBSMN1; SMN2CA12CA1CA9
SCHEMBL3296656 0.73 CA12 (0.41) CA12CA1CA9PREP
SCHEMBL6155680 0.73 PLA2G2A (0.41) RXRACA12CA1CA9PREP
SCHEMBL936407 0.73 MAPT (0.53) MAOBMAPTSMN1; SMN2CA12CA1

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
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed
US-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-06-23 US disclosed
EP-2307394-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2011-04-13 EP disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 WO 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-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 RXRA 1568/4885RXRB 1797/4885RXRG 1497/4885

“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.