SCHEMBL6439719

SCHEMBL6439719

CN(C)S(=O)(=O)c1ccc2c(c1)C=CC(C(F)(F)F)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.36
▸ ABCC9 O60706 1/20 0.35
▸ ABCC8 Q09428 1/20 0.35
▸ KCNJ11 Q14654 1/20 0.35
▸ KCNJ8 Q15842 1/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ HTR2C P28335 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
SCHEMBL6363548 0.85 PNMT (0.37) RORCCA12CA1CA2CA9
SCHEMBL6441047 0.82 KIF11 (0.40) RORCABL1ALDH1A1HTTLMNA
SCHEMBL6439603 0.74 TSHR (0.46) ABCC9ABCC8KCNJ11KCNJ8TSHR
SCHEMBL29528476 0.73 PTGS2 (0.64) —
SCHEMBL6094101 0.73 PTGS2 (0.64) —
SCHEMBL213166 0.73 PTGS2 (0.64) —
SCHEMBL6381526 0.72 PTGS2 (0.41) ALDH1A1
SCHEMBL7145220 0.70 PTGS2 (0.43) ABCC9ABCC8KCNJ11KCNJ8TSHR
SCHEMBL6451126 0.68 HTT (0.40) MAPTHTTLMNAKMT2ASMN1; SMN2
SCHEMBL1930991 0.67 P2RY6 (0.41) MAPTALDH1A1KMT2AMEN1KDM4E

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-20050070543-A1 Compositions of a chromene or phenyl acetic acid cyclooxygenase-2 selective inhibitor and an ACE inhibitor for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-03-31 — — 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-20050070543-A1 Compositions of a chromene or phenyl acetic acid cyclooxygenase-2 selective inhibitor and an ACE inhibitor for the treatment of central nervous system damage ACE, ACE2, AGTR2 RORC 3217/4885ABCC9 2268/4885ABCC8 2405/4885

“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.

Send feedback