SCHEMBL6571433

SCHEMBL6571433

CCCCc1ccc(CN(Cc2ccccc2CC(=O)O)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.63
TAS2R14 Q9NYV8 7/20 0.52
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL4946002 0.85 CNR2 (0.65) CNR2TAS2R14KEAP1NFE2L2ALDH1A1
SCHEMBL5725967 0.81 ALDH1A1 (0.49) CNR2ALDH1A1HPGDHSD17B10
SCHEMBL5046426 0.80 CNR2 (0.61) CNR2KEAP1NFE2L2ALDH1A1
SCHEMBL5048052 0.78 CNR2 (0.75) CNR2TAS2R14
SCHEMBL5050520 0.76 TAS2R14 (0.56) CNR2TAS2R14ALDH1A1HPGDHSD17B10
SCHEMBL5050411 0.75 TAS2R14 (0.58) CNR2TAS2R14KEAP1NFE2L2ALDH1A1
SCHEMBL5049446 0.75 CNR2 (0.57) CNR2ALDH1A1
SCHEMBL4948807 0.75 PTGER2 (0.56) CNR2
SCHEMBL5047940 0.74 MAPT (0.64) CNR2TAS2R14
SCHEMBL15677741 0.74 RXFP1 (0.63) CNR2TAS2R14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1599605-A Pharmaceutical compositions and methods for administering EP2 receptor selective agonists PFIZER PROD INC (US) 2005-03-23 CN claimed
EP-1448182-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ADMINISTERING EP 2 RECEPTOR SELECTIVE AGONISTS Pfizer Products Inc. (US) 2004-08-25 EP claimed
US-20030166631-A1 Pharmaceutical compositions and methods for administering EP2 receptor selective agonists DUMONT FRANCIS (US) 2003-09-04 US claimed
WO-2003045371-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ADMINISTERING EP2 RECEPTOR SELECTIVE AGONISTS PFIZER PRODUCTS INC. (US) 2003-06-05 WO claimed
EP-1108426-A2 Use of prostaglandin agonists to treat erectile dysfunction or impotence Pfizer Products Inc. (US) 2001-06-20 EP claimed
CN-1599605-A Pharmaceutical compositions and methods for administering EP2 receptor selective agonists PFIZER PROD INC (US) 2005-03-23 CN disclosed
EP-1448182-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ADMINISTERING EP 2 RECEPTOR SELECTIVE AGONISTS Pfizer Products Inc. (US) 2004-08-25 EP disclosed
US-20030166631-A1 Pharmaceutical compositions and methods for administering EP2 receptor selective agonists DUMONT FRANCIS (US) 2003-09-04 US disclosed
WO-2003045371-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ADMINISTERING EP2 RECEPTOR SELECTIVE AGONISTS PFIZER PRODUCTS INC. (US) 2003-06-05 WO disclosed
US-20010056060-A1 Treatment of osteoporsis with EP2/EP4 receptor selective agonists CAMERON KIMBERLY O (US) 2001-12-27 US disclosed
EP-1121939-A2 Treatment of osteoporosis with EP2/EP4 receptor selective agonists Pfizer Products Inc. (US) 2001-08-08 EP disclosed
EP-1108426-A2 Use of prostaglandin agonists to treat erectile dysfunction or impotence Pfizer Products Inc. (US) 2001-06-20 EP 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 (2 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-20010056060-A1 Treatment of osteoporsis with EP2/EP4 receptor selective agonists PTGER2, PTGER1, PTGER4 CNR2 71/4885TAS2R14 1752/4885KEAP1 1663/4885
US-20030166631-A1 Pharmaceutical compositions and methods for administering EP2 receptor selective agonists PTGER2, PTGER1, PTGFR CNR2 23/4885TAS2R14 2271/4885KEAP1 3481/4885

“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.