SCHEMBL2615510

SCHEMBL2615510

Cc1ccc(S(=O)(=O)C[C@](C)(O)C(=O)Nc2ccc(F)c(C)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.55
CYP2C19 P33261 4/20 0.55
ABCB11 O95342 1/20 0.55
ALB P02768 1/20 0.55
PGR P06401 1/20 0.55
ADRA2C P18825 1/20 0.55
GHSR Q92847 1/20 0.55
CYP3A4 P08684 3/20 0.54
CYP2C9 P11712 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
CYP2D6 P10635 1/20 0.51

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
SCHEMBL7074011 0.85 AR (0.62) ARCYP2C19ABCB11ALBPGR
SCHEMBL13284882 0.80 AR (0.76) ARCYP2C19ABCB11ALBPGR
SCHEMBL10029119 0.79 AR (0.61) ARCYP2C19ABCB11ALBPGR
SCHEMBL15325073 0.79 AR (0.78) ARCYP2C19ABCB11ALBPGR
SCHEMBL18720888 0.79 AR (0.78) ARCYP2C19ABCB11ALBPGR
SCHEMBL7069604 0.79 CYP2C19 (0.62) ARCYP2C19ABCB11ALBPGR
SCHEMBL18720887 0.79 CYP2C19 (0.62) ARCYP2C19ABCB11ALBPGR
SCHEMBL22111567 0.79 AR (0.79) ARCYP2C19ABCB11ALBPGR
SCHEMBL14559210 0.79 AR (0.74) ARCYP2C19ABCB11ALBPGR
SCHEMBL17381241 0.79 AR (0.74) ARCYP2C19ABCB11ALBPGR

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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS AR 2535/4885CYP2C19 887/4885ABCB11 1817/4885

“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.