SCHEMBL13870904

SCHEMBL13870904

Cc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1S(=O)(=O)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
TP53 P04637 4/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
RPA1 P27694 1/20 0.62
GFER P55789 1/20 0.62
NPC1 O15118 1/20 0.60
TSHR P16473 2/20 0.58
USP2 O75604 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CCR8 P51685 1/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PTGES O14684 1/20 0.52
ALOX5 P09917 1/20 0.52
CNR2 P34972 2/20 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
SCHEMBL14484939 0.86 MEN1 (0.76) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL13870885 0.82 KMT2A (0.70) MEN1KMT2ATP53ALDH1A1CCR8
SCHEMBL19667044 0.81 MEN1 (0.67) MEN1KMT2ATP53SMN1; SMN2ALDH1A1
SCHEMBL15920271 0.80 MEN1 (0.67) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL15920274 0.80 MEN1 (0.66) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL1094889 0.79 TP53 (1.00) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL13870901 0.79 TP53 (1.00) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL17479368 0.79 MEN1 (0.65) MEN1KMT2ATP53SMN1; SMN2ALDH1A1
SCHEMBL6357975 0.78 MEN1 (0.64) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL15919998 0.77 KMT2A (0.63) MEN1KMT2ATP53SMN1; SMN2KDM4E

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 MEN1 2859/4885KMT2A 2570/4885TP53 4629/4885

“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.