SCHEMBL5046613

SCHEMBL5046613

O=C(O)Cc1cccc(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2cccnc2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.57
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA4 P22748 4/20 0.52
CA9 Q16790 4/20 0.52
PTGER2 P43116 10/20 0.51
MEP1B Q16820 1/20 0.47
HPGD P15428 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL5047994 0.94 ALDH1A1 (0.53) TAS2R14CA12CA1CA2CA4
SCHEMBL5046567 0.81 PTGER2 (0.58) CA12CA1CA2CA4CA9
SCHEMBL27556619 0.81 TAS2R14 (0.42) TAS2R14MEP1BHPGDALDH1A1
SCHEMBL4946108 0.80 PTGER2 (0.57) CA12CA1CA2CA4CA9
SCHEMBL5048023 0.80 CA12 (0.64) TAS2R14CA12CA1CA2CA4
SCHEMBL4945973 0.80 CA12 (0.58) CA12CA1CA2CA4CA9
SCHEMBL5043574 0.80 CA12 (0.60) CA12CA1CA2CA4CA9
SCHEMBL4948807 0.80 PTGER2 (0.56) CA12CA1CA2CA4CA9
SCHEMBL5050540 0.79 PTGER2 (0.69) TAS2R14CA12CA1CA2CA4
SCHEMBL5048109 0.79 TAS2R14 (0.69) TAS2R14MEP1BHPGDALDH1A1MEN1

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 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.