SCHEMBL5043228

SCHEMBL5043228

O=C(O)c1ccc(CCCNS(=O)(=O)C(CCCc2cccc(Cl)c2)c2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ AKR1C3 P42330 1/20 0.40
▸ PLAAT3 P53816 2/20 0.40
▸ PLAAT5 Q96KN8 2/20 0.40
▸ PLAAT2 Q9NWW9 2/20 0.40
▸ PLAAT4 Q9UL19 2/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL5859621 0.82 AKR1C3 (0.43) ADRB1ADRB3AKR1C3PLAAT3PLAAT5
SCHEMBL5725348 0.79 ALDH1A1 (0.44) ADRB1ADRB3PLAAT3PLAAT5PLAAT2
SCHEMBL5726791 0.78 NAAA (0.46) ADRB1ADRB3PLAAT3PLAAT5PLAAT2
SCHEMBL5726132 0.76 ALDH1A1 (0.46) ADRB1ADRB3PLAAT3PLAAT5PLAAT2
SCHEMBL5046905 0.75 TAS2R14 (0.50) AKR1C3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7986084 0.75 SMN1; SMN2 (0.56) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL5043229 0.75 TAS2R14 (0.40) AKR1C3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2769588 0.74 TAS2R14 (0.39) AKR1C3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5726420 0.73 TAS2R14 (0.41) AKR1C3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5727230 0.73 TAS2R14 (0.39) AKR1C3PLAAT3PLAAT5PLAAT2PLAAT4

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 ADRB1 622/4885ADRB3 800/4885AKR1C3 2233/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR ADRB1 162/4885ADRB3 203/4885AKR1C3 845/4885

“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.

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