SCHEMBL1991640

SCHEMBL1991640

CCOC(=O)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ERN1 O75460 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
SLC9A1 P19634 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.43
HSP90AA1 P07900 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
PDE7A Q13946 2/20 0.43
PDE3A Q14432 2/20 0.43
CRHBP P24387 1/20 0.43

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
SCHEMBL23091160 0.82 HDAC4 (0.52) HDAC4HDAC6ERN1CYP1A2CYP2C19
SCHEMBL23091222 0.81 SLC9A1 (0.55) HDAC4HDAC6ERN1CYP1A2CYP2C19
SCHEMBL29617026 0.81 HDAC4 (0.64) HDAC4HDAC6ERN1CYP1A2CYP2C19
SCHEMBL12563595 0.80 CYP1A2 (0.51) CYP1A2CYP2C19RXRARXRBRXRG
SCHEMBL1660367 0.80 HDAC4 (0.51) HDAC4HDAC6ERN1CYP1A2CYP2C19
SCHEMBL23222388 0.78 HDAC4 (0.49) HDAC4HDAC6ERN1CYP1A2CYP2C19
SCHEMBL1660117 0.78 NR4A1 (0.46) CYP1A2CYP2C19RXRARXRBRXRG
SCHEMBL1658932 0.78 NR4A1 (0.54) CYP1A2CYP2C19RXRARXRBRXRG
SCHEMBL3023394 0.78 KDM4E (0.60) KDM4EALDH1A1MAPTKMT2AHTT
SCHEMBL13216057 0.78 KDM4E (0.54) KDM4EALDH1A1MAPTKMT2AHTT

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
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
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

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 HDAC4 3309/4885HDAC6 2251/4885ERN1 4077/4885

“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.