SCHEMBL5043616

SCHEMBL5043616

CCCCNC(=O)N(CCCc1cccc(Cl)c1)CCCc1ccc(C(=O)O)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
EPHX2 P34913 1/20 0.39
MAPT P10636 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
EPHX1 P07099 3/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL5047954 0.95 PLAAT3 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL5046689 0.91 PLAAT3 (0.41) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL5046669 0.84 PTGES (0.47) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL5725361 0.84 PLAAT3 (0.39) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL5727377 0.84 TAAR1 (0.39) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL5726264 0.84 SLC2A1 (0.43) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL5047961 0.83 POLB (0.48) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL5727230 0.83 TAS2R14 (0.39) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL5048193 0.82 ALDH1A1 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL5046569 0.82 CNR1 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2

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 7 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
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 (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 PLAAT3 1724/4885PLAAT5 1972/4885PLAAT2 1142/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR PLAAT3 271/4885PLAAT5 202/4885PLAAT2 157/4885

“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.