SCHEMBL5046539

SCHEMBL5046539

O=C(O)c1ccc(CCCN(CCCc2cccc(Cl)c2)S(=O)(=O)c2ccccc2Cl)s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.41
MRGPRX4 Q96LA9 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
PGR P06401 1/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.36
AKR1C3 P42330 1/20 0.36
POLB P06746 1/20 0.36
SLC16A3 O15427 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5047973 0.90 LMNA (0.46) HTTTAS2R14PLAAT3PLAAT5PLAAT2
SCHEMBL5043363 0.90 TAS2R14 (0.39) HTTTAS2R14PLAAT3PLAAT5PLAAT2
SCHEMBL5046905 0.89 TAS2R14 (0.50) TAS2R14MRGPRX4PLAAT3PLAAT5PLAAT2
SCHEMBL5046412 0.87 KDM4E (0.40) TAS2R14MRGPRX4PLAAT3PLAAT5PLAAT2
SCHEMBL5043429 0.87 HTT (0.39) HTTTAS2R14MRGPRX4PLAAT3PLAAT5
SCHEMBL5046370 0.85 TDP1 (0.38) HTTTAS2R14MRGPRX4LMNAALDH1A1
SCHEMBL5043229 0.85 TAS2R14 (0.40) TAS2R14MRGPRX4PLAAT3PLAAT5PLAAT2
SCHEMBL2769588 0.85 TAS2R14 (0.39) TAS2R14MRGPRX4PLAAT3PLAAT5PLAAT2
SCHEMBL5049457 0.85 CCKBR (0.45) HTTMEN1KMT2ALMNAPOLB
SCHEMBL5043101 0.84 TAS2R14 (0.45) TAS2R14PLAAT3PLAAT5PLAAT2PLAAT4

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 9 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
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
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
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 HTT 2486/4885TAS2R14 518/4885MRGPRX4 141/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR HTT 4421/4885TAS2R14 4081/4885MRGPRX4 199/4885

“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.