SCHEMBL2680684

SCHEMBL2680684

CC(=O)c1c[c]c(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 2/20 0.41
STAT3 P40763 1/20 0.41
STAT1 P42224 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B1 P14061 1/20 0.40
CYP2A6 P11509 1/20 0.39
BRD4 O60885 1/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
ALDH1A1 P00352 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CES2 O00748 1/20 0.36

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
SCHEMBL4774336 0.80 ALDH1A1 (0.34) HPGDLMNAKMT2ASMN1; SMN2TDP1
SCHEMBL11145825 0.80 PARP10 (0.42) MAPTL3MBTL1KMT2ASMN1; SMN2TDP1
SCHEMBL2889295 0.79 HSD17B1 (0.46) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL3062621 0.77 MAPT (0.41) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL1459630 0.77 TDP1 (0.55) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL28030580 0.77 HDAC8 (0.50) HPGDSMN1; SMN2ALDH1A1
SCHEMBL3278080 0.77 PGR (0.34) MAPTRAB9ALMNAKMT2ASMN1; SMN2
SCHEMBL1206442 0.76 MAPT (0.40) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL9709057 0.76 MAPT (0.42) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL1206454 0.76 KMT2A (0.45) MAPTHPGDRAB9ALMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018228-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-04-28 US disclosed
EP-2427058-B1 NEMATOCIDAL SULFONAMIDES DU PONT (US) 2014-12-31 EP disclosed
US-20140221203-A1 NEMATOCIDAL SULFONAMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-07 US disclosed
US-8735588-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-27 US disclosed
US-20140088309-A1 NEMATOCIDAL SULFONAMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-03-27 US disclosed
US-8623890-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-01-07 US disclosed
US-20120114624-A1 NEMATOCIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-10 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 (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-20140221203-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 MAPT 4833/4885HPGD 2298/4885RAB9A 1511/4885
US-20120114624-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 MAPT 4833/4885HPGD 2298/4885RAB9A 1511/4885
US-20140088309-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 MAPT 4833/4885HPGD 2298/4885RAB9A 1511/4885

“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.