SCHEMBL4112137

SCHEMBL4112137

Cc1ccc(S(=O)(=O)CP(=O)(OCc2ccccc2)OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
MCHR1 Q99705 1/20 0.49
AR P10275 1/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 2/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CA12 O43570 1/20 0.44
CYP1A2 P05177 1/20 0.44
ATM Q13315 1/20 0.44
CA9 Q16790 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RECQL P46063 2/20 0.43
HSD11B1 P28845 1/20 0.43
PIR O00625 1/20 0.41

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
SCHEMBL16020645 0.80 MAPT (0.44) LMNAMAPTMCHR1ARKMT2A
SCHEMBL1374250 0.80 ALDH1A1 (0.47) LMNAMAPTMCHR1KMT2ACYP3A4
SCHEMBL16346612 0.76 ALDH1A1 (0.50) LMNAMAPTKMT2ACYP3A4CA12
SCHEMBL1396563 0.74 PSIP1 (0.53) LMNAMAPTACHECA12CA9
SCHEMBL23732962 0.74 TSHR (0.47) CA9TSHRALDH1A1KDM4E
SCHEMBL16020646 0.73 TSHR (0.47) LMNAMAPTMCHR1ARCYP3A4
SCHEMBL17030883 0.73 MCHR1 (0.51) MCHR1KMT2ACYP3A4BCHEACHE
SCHEMBL257997 0.72 MAPT (0.64) LMNAMAPTMCHR1KMT2ACYP3A4
SCHEMBL25763345 0.72 ALDH1A1 (0.49) LMNAMAPTMCHR1KMT2ACYP3A4
SCHEMBL2890 0.71 CA9 (0.53) LMNAMAPTMCHR1ARKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 US disclosed
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-20060199788-A1 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. 2006-09-07 US disclosed
EP-1663254-A2 ANTI-INFLAMATORY PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-06-07 EP disclosed
US-20060035866-A1 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. 2006-02-16 US disclosed
EP-1620110-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-02-01 EP disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 WO disclosed
WO-2004096236-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 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 (4 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-20060035866-A1 Phosphonate compounds having immuno-modulatory activity PHOSPHO1, NFATC1, IFNG LMNA 4759/4885MAPT 1432/4885MCHR1 4813/4885
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG LMNA 4759/4885MAPT 1432/4885MCHR1 4813/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES LMNA 2591/4885MAPT 2574/4885MCHR1 4857/4885
US-20060199788-A1 Anti-inflammatory phosphonate compounds PHOSPHO1, TNF, PTGES LMNA 2591/4885MAPT 2574/4885MCHR1 4857/4885

“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.