SCHEMBL5043101

SCHEMBL5043101

O=C(O)c1ccc(CCCN(CCCc2cccc(Cl)c2)S(=O)(=O)c2ccc3ccccc3c2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.45
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA4 P22748 3/20 0.40
CA9 Q16790 3/20 0.40
CNR2 P34972 1/20 0.40
MCL1 Q07820 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CXCR3 P49682 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
PGR P06401 1/20 0.38

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
SCHEMBL5046905 0.90 TAS2R14 (0.50) TAS2R14CA12CA1CA9CXCR3
SCHEMBL5043227 0.87 TAS2R14 (0.47) TAS2R14CA12CA1CA2CA4
SCHEMBL5048001 0.86 TAS2R14 (0.57) TAS2R14MAPTCXCR3
SCHEMBL5043363 0.85 TAS2R14 (0.39) TAS2R14MCL1LMNACXCR3PLAAT3
SCHEMBL5046539 0.84 HTT (0.45) TAS2R14LMNAPLAAT3PLAAT5PLAAT2
SCHEMBL5726420 0.83 TAS2R14 (0.41) TAS2R14PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5047966 0.83 PTGER2 (0.43) TAS2R14CA12CA1CA2CA4
SCHEMBL5043229 0.82 TAS2R14 (0.40) TAS2R14PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2769588 0.82 TAS2R14 (0.39) TAS2R14PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5047973 0.82 LMNA (0.46) TAS2R14LMNAMAPTCXCR3PLAAT3

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 7 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
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
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 TAS2R14 518/4885CA12 4228/4885CA1 4613/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR TAS2R14 4081/4885CA12 4780/4885CA1 4650/4885

“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.