SCHEMBL13870909

SCHEMBL13870909

O=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)N2CCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 1.00
ALB P02768 5/20 0.82
ALDH1A1 P00352 4/20 0.78
MAPT P10636 3/20 0.78
PPARG P37231 1/20 0.74
PPARD Q03181 1/20 0.74
SMN1; SMN2 Q16637 2/20 0.71
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
GAA P10253 2/20 0.68
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
POLB P06746 1/20 0.65
IL1RN P18510 1/20 0.64
LMNA P02545 1/20 0.64
MAPK1 P28482 1/20 0.64
HSD17B10 Q99714 1/20 0.64
TNF P01375 1/20 0.62
NOD2 Q9HC29 1/20 0.62
NOD1 Q9Y239 1/20 0.62

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
SCHEMBL13870931 0.99 TP53 (0.98) TP53ALBALDH1A1MAPTPPARG
SCHEMBL13870890 0.90 ALB (1.00) TP53ALBALDH1A1PPARGPPARD
SCHEMBL6357153 0.87 ALB (0.83) TP53ALBALDH1A1MAPTPPARG
SCHEMBL17479208 0.86 TP53 (0.75) TP53ALBALDH1A1MAPTPPARG
SCHEMBL21067755 0.85 PPARG (1.00) TP53ALBPPARGPPARDMEN1
SCHEMBL17479094 0.85 MEN1 (0.79) TP53ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL1001462 0.85 TP53 (0.73) TP53ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL15276769 0.84 ALDH1A1 (0.97) TP53ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6359330 0.84 TP53 (0.72) TP53ALBALDH1A1MAPTPPARG
SCHEMBL15076663 0.84 TP53 (0.72) TP53ALDH1A1MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 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-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use NR1H2, NR1H3, HRH2 TP53 4629/4885ALB 3957/4885ALDH1A1 787/4885

“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.