SCHEMBL9938331

SCHEMBL9938331

CSc1cc(S(=O)(=O)Cl)ccc1OC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
S100A9 P06702 1/20 0.36
CCR2 P41597 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 1/20 0.34
TNNI3K Q59H18 3/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
RORC P51449 4/20 0.33
GSTO1 P78417 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
SCN3A Q9NY46 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL4181852 0.78 TSHR (0.51) FFAR4ALDH1A1HTT
SCHEMBL2635603 0.78 S100A9 (0.53) CNR2S100A9TNNI3KRORCSCN3A
SCHEMBL1415662 0.76 EPAS1 (0.47) S100A9SLC6A4SLC6A3
SCHEMBL2443453 0.76 S100A9 (0.38) CNR2S100A9SLC6A4SLC6A3TNNI3K
SCHEMBL20007679 0.74 NOTUM (0.43) CNR2S100A9FFAR4ALDH1A1RORC
SCHEMBL17860810 0.74 CCR2 (0.40) CCR2SLC6A4ALDH1A1
SCHEMBL29553294 0.73 ALDH1A1 (0.41) CNR2S100A9SLC6A4SLC6A3FFAR4
SCHEMBL15627060 0.73 ALDH1A1 (0.41) CNR2S100A9SLC6A4SLC6A3FFAR4
SCHEMBL3884379 0.73 EPAS1 (0.46) CNR2S100A9CCR2ALDH1A1RORC
SCHEMBL9978249 0.73 PTPN1 (0.49) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088187-A1 ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2014-03-27 US disclosed
US-20140088187-A1 ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2014-03-27 US disclosed
US-20140088187-A1 ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2014-03-27 US disclosed
EP-2651412-A2 ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF Beth Israel Deaconess Medical Center (US) 2013-10-23 EP disclosed
WO-2012082862-A2 ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2012-06-21 WO disclosed
WO-2012082862-A2 ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2012-06-21 WO 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-20140088187-A1 ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, NR5A1, ESRRB CNR2 251/4885S100A9 4299/4885CCR2 887/4885

“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.