SCHEMBL2195484

SCHEMBL2195484

CC(C)([C@@H]1CN(c2ccc(C(F)(F)F)cn2)C(=O)O1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
NR1H2 P55055 3/20 0.42
NR1H3 Q13133 3/20 0.42
AKR1C3 P42330 1/20 0.40
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA4 P22748 4/20 0.38
CA7 P43166 4/20 0.38
CA9 Q16790 4/20 0.38
TRPV1 Q8NER1 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
GRM2 Q14416 1/20 0.37
NR1I2 O75469 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL2195921 1.00 GRM5 (0.45) GRM5HCRTR1HCRTR2NR1H2NR1H3
SCHEMBL1712837 0.87 HCRTR1 (0.41) GRM5HCRTR1HCRTR2NR1H2NR1H3
SCHEMBL2193288 0.87 HCRTR1 (0.41) GRM5HCRTR1HCRTR2NR1H2NR1H3
SCHEMBL2195252 0.87 HCRTR1 (0.41) GRM5HCRTR1HCRTR2NR1H2NR1H3
SCHEMBL2195008 0.85 GRM2 (0.44) AKR1C3CA1CA2KDM4ECNR1
SCHEMBL1724280 0.85 GRM2 (0.44) AKR1C3CA1CA2KDM4ECNR1
SCHEMBL2195046 0.85 GRM2 (0.44) AKR1C3CA1CA2KDM4ECNR1
SCHEMBL12417665 0.83 KDM4E (0.41) AKR1C3KDM4ECNR1GRM2NR1I2
SCHEMBL12417664 0.83 KDM4E (0.41) AKR1C3KDM4ECNR1GRM2NR1I2
SCHEMBL2191626 0.82 AKR1C3 (0.40) NR1H2NR1H3AKR1C3CA12CA1

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
US-20110172223-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers CHAKRAVARTY PRASUN K 2011-07-14 US claimed
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
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 GRM5 449/4885HCRTR1 278/4885HCRTR2 225/4885

“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.