SCHEMBL1625699

SCHEMBL1625699

COc1ccc2c(c1)nc(-c1cc[nH]n1)n2-c1ccc(CCN(C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.39
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 4/20 0.38
HPGD P15428 1/20 0.38
RORC P51449 1/20 0.37
TAS2R14 Q9NYV8 3/20 0.36
LMNA P02545 4/20 0.35
MAPT P10636 3/20 0.35
BMP1 P13497 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL1626134 0.97 TP53 (0.37) TP53ALDH1A1NPSR1HPGDRORC
SCHEMBL1627481 0.89 SIRT2 (0.39) TP53TAS2R14MAPT
SCHEMBL1625419 0.87 SIRT2 (0.37) TP53TAS2R14LMNAMAPT
SCHEMBL1625541 0.86 PTGER4 (0.43) TP53ALDH1A1NPSR1HPGDRORC
SCHEMBL1624210 0.83 CNR2 (0.34) ALDH1A1NPSR1TAS2R14MAPT
SCHEMBL6714926 0.82 ALDH1A1 (0.40) TP53ALDH1A1NPSR1HPGDRORC
SCHEMBL1626286 0.81 PTGER4 (0.52) ALDH1A1MAPT
SCHEMBL7258492 0.81 CNR2 (0.33) ALDH1A1NPSR1MAPT
SCHEMBL1625457 0.80 PTGER4 (0.36) TP53TAS2R14MAPT
SCHEMBL1626194 0.79 ALDH1A1 (0.40) TP53ALDH1A1HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928119-B2 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER INC. (US) 2011-04-19 US disclosed
US-7479564-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC. (JP) 2009-01-20 US disclosed
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PFIZER INC. 2007-07-05 US disclosed
US-7148234-B2 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER INC. (US) 2006-12-12 US disclosed
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases SHIMOJO MASATO 2003-12-25 US disclosed
EP-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PFIZER PHARMACEUTICALS INC. (JP) 2002-06-20 US disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 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-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PTGER4, PTGER1, IL6 TP53 4291/4885ALDH1A1 1858/4885NPSR1 640/4885
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES TP53 3891/4885ALDH1A1 798/4885NPSR1 439/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 TP53 4239/4885ALDH1A1 1286/4885NPSR1 388/4885

“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.