SCHEMBL5046905

SCHEMBL5046905

O=C(O)c1ccc(CCCN(CCCc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)s1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 4/20 0.50
AKR1C3 P42330 1/20 0.42
CXCR3 P49682 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
DAGLA Q9Y4D2 1/20 0.39
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
PGR P06401 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
MRGPRX4 Q96LA9 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
SCHEMBL5043227 0.92 TAS2R14 (0.47) TAS2R14AKR1C3CXCR3MEN1KMT2A
SCHEMBL5043101 0.90 TAS2R14 (0.45) TAS2R14CXCR3MEN1KMT2APOLB
SCHEMBL5047966 0.90 PTGER2 (0.43) TAS2R14AKR1C3MEN1KMT2ACA12
SCHEMBL5048001 0.90 TAS2R14 (0.57) TAS2R14CXCR3
SCHEMBL5046539 0.89 HTT (0.45) TAS2R14AKR1C3MEN1KMT2APOLB
SCHEMBL5726420 0.88 TAS2R14 (0.41) TAS2R14AKR1C3MEN1KMT2APLAAT3
SCHEMBL5043229 0.88 TAS2R14 (0.40) TAS2R14AKR1C3MEN1KMT2APLAAT3
SCHEMBL2769588 0.87 TAS2R14 (0.39) TAS2R14AKR1C3MEN1KMT2APLAAT3
SCHEMBL5047973 0.87 LMNA (0.46) TAS2R14CXCR3MEN1KMT2APOLB
SCHEMBL5046378 0.87 TAS2R14 (0.43) TAS2R14CXCR3MEN1KMT2APOLB

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 5 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

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 518/4885AKR1C3 2233/4885CXCR3 1116/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR TAS2R14 4081/4885AKR1C3 845/4885CXCR3 374/4885

“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.