SCHEMBL5049446

SCHEMBL5049446

CCCCc1ccc(CN(Cc2cccc(CC(=O)O)c2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.57
MAPK1 P28482 3/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MMP1 P03956 6/20 0.48
MMP2 P08253 6/20 0.48
MMP9 P14780 6/20 0.48
MMP8 P22894 6/20 0.48
MMP13 P45452 6/20 0.48
CXCR3 P49682 1/20 0.47

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 0.89 CNR2 (0.65) CNR2ALDH1A1
SCHEMBL5048052 0.88 CNR2 (0.75) CNR2
SCHEMBL5050411 0.84 TAS2R14 (0.58) CNR2ALDH1A1CXCR3
SCHEMBL5047940 0.83 MAPT (0.64) CNR2KMT2AMAPTCXCR3
SCHEMBL5725098 0.82 ALDH1A1 (0.54) CNR2ALDH1A1
SCHEMBL5050520 0.82 TAS2R14 (0.56) CNR2ALDH1A1KMT2A
SCHEMBL4947264 0.81 ALDH1A1 (0.55) CNR2ALDH1A1
SCHEMBL5050460 0.81 CNR2 (0.49) CNR2ALDH1A1
SCHEMBL4948807 0.80 PTGER2 (0.56) CNR2
SCHEMBL5725083 0.80 ALDH1A1 (0.54) CNR2ALDH1A1

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-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
US-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PFIZER INC. 2005-09-15 US 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

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 244/4885MAPK1 2626/4885ALDH1A1 3293/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR CNR2 373/4885MAPK1 2397/4885ALDH1A1 1987/4885

“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.