SCHEMBL5046426

SCHEMBL5046426

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

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.61
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 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
SCHEMBL27643278 0.88 PTGER2 (0.56) CNR2
SCHEMBL5043170 0.88 PTGER2 (0.56) CNR2
SCHEMBL2396450 0.85 ALDH1A1 (0.48) CNR2ALDH1A1
SCHEMBL1471278 0.85 CNR2 (0.53) CNR2ALDH1A1MAPK1KMT2ATDP1
SCHEMBL5726069 0.84 ALDH1A1 (0.47) CNR2ALDH1A1
SCHEMBL12749297 0.83 PTGER2 (0.57) ALDH1A1MAPK1KMT2ATDP1
SCHEMBL14569238 0.81 S1PR1 (0.52) ALDH1A1
SCHEMBL26313799 0.81 CA9 (0.57) CNR2KEAP1NFE2L2
SCHEMBL15677741 0.80 RXFP1 (0.63) CNR2ALDH1A1KMT2ATDP1
SCHEMBL6571433 0.80 CNR2 (0.63) CNR2ALDH1A1KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 US disclosed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed
CN-1859903-A Use of EP2 selective receptor agonists in medical treatment PFIZER PROD INC (US) 2006-11-08 CN disclosed
EP-1601351-A1 USE OF EP2 SELECTIVE RECEPTOR AGONISTS IN MEDICAL TREATMENT Pfizer Products Inc. (US) 2005-12-07 EP disclosed
US-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PFIZER INC. 2005-09-15 US disclosed
CN-1211367-C Prostaglandin agonists and their use to treat bone disorders PFIZER (US) 2005-07-20 CN disclosed
CN-1566096-A Prostaglandin agonists and their use to treat bonedisorders PFIZER (US) 2005-01-19 CN disclosed
WO-2004078169-A1 USE OF EP2 SELECTIVE RECEPTOR AGONISTS IN MEDICAL TREATMENT PFIZER PRODUCTS INC. (US) 2004-09-16 WO disclosed
US-20030078261-A1 Prostaglandin agonists CAMERON KIMBERLY O (US) 2003-04-24 US disclosed
US-6498172-B1 (3-(((4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO)-METHYL) -PHENOXY)-ACETIC ACID OR SALT; TREATING SUCH AS OSTEOPOROSIS PFIZER INC. 2002-12-24 US disclosed
CN-1275123-A Prostaglandin agonists and their use to treat bone disorders PFIZER (US) 2000-11-29 CN disclosed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 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 (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-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PTGER2, PTGES2, PTGFR CNR2 244/4885ALDH1A1 3293/4885MAPK1 2626/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR CNR2 373/4885ALDH1A1 1987/4885MAPK1 2397/4885

“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.