SCHEMBL7161900

SCHEMBL7161900

COc1cccc(Nc2ccccc2CC(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.58
AKR1C2 P52895 3/20 0.58
PTGS2 P35354 3/20 0.55
USP2 O75604 1/20 0.54
NPC1 O15118 4/20 0.53
GAA P10253 1/20 0.53
GFER P55789 1/20 0.53
CXCL8 P10145 3/20 0.51
RAB9A P51151 2/20 0.51
AKR1B10 O60218 1/20 0.51
UGT1A9 O60656 1/20 0.51
TRPA1 O75762 1/20 0.51
ABCB11 O95342 1/20 0.51
MT-CO2 P00403 1/20 0.51
TTR P02766 1/20 0.51
ALB P02768 1/20 0.51
UGT1A6 P19224 1/20 0.51
UGT1A1 P22309 1/20 0.51
PTGS1 P23219 1/20 0.51
CXCR1 P25024 1/20 0.51

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
SCHEMBL7166224 0.85 MAPT (0.59) AKR1C3AKR1C2PTGS2GAACXCL8
SCHEMBL7166092 0.82 PTGS2 (0.62) PTGS2GAACXCL8AKR1B10UGT1A9
SCHEMBL341539 0.82 FABP3 (0.59) AKR1C3AKR1C2PTGS2GFERCXCL8
SCHEMBL361662 0.81 CXCL8 (0.67) PTGS2CXCL8AKR1B10UGT1A9TRPA1
SCHEMBL29622781 0.81 CXCL8 (0.67) PTGS2CXCL8AKR1B10UGT1A9TRPA1
SCHEMBL7165882 0.80 RXRA (0.51) AKR1C3AKR1C2PTGS2CXCL8MEN1
SCHEMBL7164969 0.80 CAMK2A (0.63) PTGS2CXCL8AKR1B10UGT1A9TRPA1
SCHEMBL7164893 0.80 PTGS2 (0.59) PTGS2CXCL8AKR1B10UGT1A9TRPA1
SCHEMBL28534880 0.79 CXCL8 (0.65) PTGS2CXCL8AKR1B10UGT1A9TRPA1
SCHEMBL7164974 0.79 CXCL8 (0.70) AKR1C3AKR1C2PTGS2USP2CXCL8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552077-B2 Kidney disorders EXOCELL, INC. 2003-04-22 US disclosed
EP-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
US-6355680-B1 BLOCKING REACTION OF GLUCOSE AND ALBUMIN EXOCELL, INC. 2002-03-12 US disclosed
US-20010034359-A1 Albumin-binding compounds that prevent nonenzymatic glycation and that may be used for treatment of glycation-related pathologies EXOCELL, INC. 2001-10-25 US disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 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 (1 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-20010034359-A1 Albumin-binding compounds that prevent nonenzymatic glycation and that may be used for treatment of glycation-related pathologies ALB, AGER, TTR AKR1C3 1185/4885AKR1C2 1104/4885PTGS2 2067/4885

“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.