SCHEMBL12417664

SCHEMBL12417664

CC(C)([C@@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)O1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
AKR1C3 P42330 1/20 0.41
GRM2 Q14416 1/20 0.41
PKM P14618 1/20 0.39
PKLR P30613 1/20 0.39
HTT P42858 1/20 0.39
HSD11B1 P28845 1/20 0.37
CNR1 P21554 1/20 0.37
DPP4 P27487 1/20 0.37
PIK3CA P42336 1/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CYP3A4 P08684 2/20 0.36
CACNA1B Q00975 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR1I2 O75469 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
SCHEMBL12417665 1.00 KDM4E (0.41) KDM4EAKR1C3GRM2PKMPKLR
SCHEMBL1724280 0.88 GRM2 (0.44) KDM4EAKR1C3GRM2PKMPKLR
SCHEMBL2195008 0.88 GRM2 (0.44) KDM4EAKR1C3GRM2PKMPKLR
SCHEMBL2195046 0.88 GRM2 (0.44) KDM4EAKR1C3GRM2PKMPKLR
SCHEMBL2191626 0.85 AKR1C3 (0.40) KDM4EAKR1C3GRM2PKMPKLR
SCHEMBL2191377 0.85 AKR1C3 (0.40) KDM4EAKR1C3GRM2PKMPKLR
SCHEMBL2195484 0.83 GRM5 (0.45) KDM4EAKR1C3GRM2CNR1L3MBTL1
SCHEMBL2195921 0.83 GRM5 (0.45) KDM4EAKR1C3GRM2CNR1L3MBTL1
SCHEMBL2189802 0.82 DPP4 (0.45) KDM4EAKR1C3HTTHSD11B1DPP4
SCHEMBL12415654 0.82 DPP4 (0.45) KDM4EAKR1C3HTTHSD11B1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172223-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers CHAKRAVARTY PRASUN K 2011-07-14 US disclosed
US-20110172223-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers CHAKRAVARTY PRASUN K 2011-07-14 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-20110172223-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers TRPV1, TRPA1, CACNA1D KDM4E 1380/4885AKR1C3 1242/4885GRM2 446/4885

“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.