Sugi Predict

Sugi Predict / Compounds / SCHEMBL5046368

SCHEMBL5046368

SCHEMBL5046368

CCCCc1ccc(CNCc2cccc(CC(=O)OC)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 4/20 0.53
▸ SLC7A5 Q01650 1/20 0.47
▸ CYP4F2 P78329 1/20 0.47
▸ CYP4A11 Q02928 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ S1PR1 P21453 2/20 0.44
▸ S1PR3 Q99500 2/20 0.44
▸ S1PR2 O95136 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL5725135 0.96 TLR7 (0.54) TLR7SLC7A5CYP4F2CYP4A11ALDH1A1
SCHEMBL14420121 0.87 SLC7A5 (0.55) TLR7SLC7A5CYP4F2CYP4A11ALDH1A1
SCHEMBL1630570 0.83 SLC7A5 (0.54) TLR7SLC7A5CYP4F2CYP4A11
SCHEMBL26239996 0.82 PPARA (0.55) TLR7SLC7A5
SCHEMBL27473665 0.81 CYP4F2 (0.68) CYP4F2CYP4A11ALDH1A1GAAHPGD
SCHEMBL27490131 0.81 ALDH1A1 (0.45) ALDH1A1GAAMAPTHDAC1HPGD
SCHEMBL5725367 0.80 SLC7A5 (0.46) TLR7SLC7A5CYP4F2CYP4A11ALDH1A1
SCHEMBL5725928 0.79 SMN1; SMN2 (0.65) SLC7A5ALDH1A1HDAC1HPGDSMN1; SMN2
SCHEMBL4579913 0.79 SLC7A5 (0.58) SLC7A5CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL7227939 0.79 HDAC1 (0.44) SLC7A5CYP4F2CYP4A11ALDH1A1GAA

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 19 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-0946501-B1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER (US) 2006-05-31 — — EP disclosed
US-6998423-B2 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. (US) 2006-02-14 — — US disclosed
US-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PFIZER INC. 2005-09-15 — — US disclosed
US-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC 2004-09-09 — — US disclosed
US-6649657-B2 Administering amide to treat osteoporosis PFIZER INC. 2003-11-18 — — US disclosed
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLEY Q (US) 2003-06-05 — — 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
US-6492412-B2 ADMINISTERING TO A MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND OF SULFONAMIDE OR ALKANOY OR AMIDE DERIVATIVE CONTAINING HETERO OR AROMATIC RINGS TO TREAT OSTEOPOROSIS, OSTEOTOMY, CHILDHOOD IDIOPATHIC BOEN LOSS ETC. PFIZER, INC. 2002-12-10 — — US disclosed
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLY O (US) 2002-02-07 — — US disclosed
US-6344485-B1 Method for treating glaucoma PFIZER INC. 2002-02-05 — — US disclosed
US-6288120-B1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. 2001-09-11 — — US disclosed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 — — EP disclosed
EP-1000619-A2 Method for treating glaucoma Pfizer Products Inc. (US) 2000-05-17 — — EP disclosed
EP-0946501-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1999-10-06 — — EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 — — WO disclosed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 — — 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 (5 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-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 TLR7 850/4885SLC7A5 3468/4885CYP4F2 2453/4885
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 TLR7 850/4885SLC7A5 3468/4885CYP4F2 2453/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 TLR7 850/4885SLC7A5 3468/4885CYP4F2 2453/4885
US-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PTGER2, PTGES2, PTGFR TLR7 1011/4885SLC7A5 4539/4885CYP4F2 716/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR TLR7 352/4885SLC7A5 3466/4885CYP4F2 1755/4885

“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.