SCHEMBL5049415

SCHEMBL5049415

CCCCc1ccc(CNCCCCCCC(=O)OC)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.63
S1PR3 Q99500 11/20 0.63
S1PR2 O95136 9/20 0.63
S1PR4 O95977 5/20 0.54
LPAR2 Q9HBW0 4/20 0.54
S1PR5 Q9H228 1/20 0.54
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TLR7 Q9NYK1 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL15198804 0.90 S1PR1 (0.61) S1PR1S1PR3S1PR2S1PR4LPAR2
SCHEMBL19065068 0.88 S1PR1 (0.52) S1PR1S1PR3S1PR2S1PR4LPAR2
SCHEMBL25173219 0.87 FAAH (0.55) S1PR1S1PR3S1PR2LMNACHRM2
SCHEMBL27664523 0.86 S1PR1 (0.84) S1PR1S1PR3S1PR2S1PR4LPAR2
SCHEMBL19078954 0.85 CYP4F2 (0.54) S1PR1S1PR3S1PR2CHRM2HDAC3
SCHEMBL25169991 0.84 FAAH (0.59) S1PR1S1PR3S1PR2LMNACHRM2
SCHEMBL26239913 0.83 ALDH1A1 (0.55)
SCHEMBL5725328 0.83 HPGD (0.47) S1PR1LMNASMN1; SMN2
SCHEMBL16730575 0.82 HDAC3 (0.66) LMNACHRM2HDAC3HDAC1HDAC2
SCHEMBL13903744 0.82 HDAC3 (0.66) LMNACHRM2HDAC3HDAC1HDAC2

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 14 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
CN-1211367-C Prostaglandin agonists and their use to treat bone disorders PFIZER (US) 2005-07-20 CN disclosed
WO-2005027931-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS COMPRISING COMBINATIONS OF 2-ALKYLIDENE-19-NOR-VITAMIN D DERIVATIVES AND AN EP2 OR EP4 SELECTIVE AGONIST PFIZER PRODUCTS INC. (US) 2005-03-31 WO disclosed
US-20050065133-A1 Pharmaceutical compositions and methods comprising combinations of 2-alkylidene-19-nor-vitamin D derivatives and an EP2 or EP4 selective agonist PFIZER INC 2005-03-24 US disclosed
CN-1566096-A Prostaglandin agonists and their use to treat bonedisorders PFIZER (US) 2005-01-19 CN 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
CN-1275123-A Prostaglandin agonists and their use to treat bone disorders PFIZER (US) 2000-11-29 CN 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 (3 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-20050065133-A1 Pharmaceutical compositions and methods comprising combinations of 2-alkylidene-19-nor-vitamin D derivatives and an EP2 or EP4 selective agonist VDR, CYP24A1, CYP2R1 S1PR1 153/4885S1PR3 82/4885S1PR2 88/4885
US-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PTGER2, PTGES2, PTGFR S1PR1 1309/4885S1PR3 1278/4885S1PR2 741/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR S1PR1 276/4885S1PR3 283/4885S1PR2 326/4885

“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.