SCHEMBL7166160

SCHEMBL7166160

CC(=O)Oc1ccccc1Nc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.47
HPGD P15428 4/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
PTGS2 P35354 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ESR1 P03372 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
HMGB1 P09429 1/20 0.46
GGT1 P19440 1/20 0.46
PTGS1 P23219 1/20 0.46
BLM P54132 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM1A O60341 1/20 0.44
TOP1 P11387 2/20 0.44

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
SCHEMBL457991 0.87 CXCL8 (0.51) CXCL8HPGDALDH1A1TSHRPTGS2
SCHEMBL8053100 0.86 CXCL8 (0.50) CXCL8HPGDALDH1A1TSHRPTGS2
Potassium SCHEMBL8053105 0.86 CXCL8 (0.50) CXCL8HPGDALDH1A1TSHRPTGS2
Rubidium SCHEMBL9618522 0.86 CXCL8 (0.50) CXCL8HPGDALDH1A1TSHRPTGS2
SCHEMBL9618518 0.86 CXCL8 (0.50) CXCL8HPGDALDH1A1TSHRPTGS2
SCHEMBL9618521 0.86 CXCL8 (0.50) CXCL8HPGDALDH1A1TSHRPTGS2
SCHEMBL1961600 0.86 CXCL8 (0.50) CXCL8HPGDALDH1A1TSHRPTGS2
SCHEMBL29598223 0.86 CXCL8 (0.50) CXCL8HPGDALDH1A1TSHRPTGS2
Diethylamine SCHEMBL9790067 0.80 CXCL8 (0.47) CXCL8TSHRPTGS2HSD17B10PTGS1
SCHEMBL29816549 0.80 PTGS2 (0.57) CXCL8HPGDALDH1A1TSHRPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552077-B2 Kidney disorders EXOCELL, INC. 2003-04-22 US 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

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 CXCL8 3032/4885HPGD 1845/4885ALDH1A1 942/4885

“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.