SCHEMBL709649

SCHEMBL709649

CN(C)S(=O)(=O)c1ccc(C(=O)c2cc(CC(=O)O)cc3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
AKR1B1 P15121 1/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL709618 0.87 AKR1B1 (0.44) AKR1B1
SCHEMBL708449 0.86 L3MBTL1 (0.47) ALDH1A1SMN1; SMN2MAPTMAPK1HTT
SCHEMBL709616 0.86 PTGDR2 (0.46) ALDH1A1RAB9A
SCHEMBL712595 0.85 CA2 (0.49) MAPTAKR1B1POLBMEN1KMT2A
SCHEMBL709556 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2AKR1B1GAAKMT2A
SCHEMBL709260 0.75 PTGDR2 (0.58) ALDH1A1SMN1; SMN2LMNARAB9AMEN1
SCHEMBL710040 0.75 PTGDR2 (0.45)
SCHEMBL707811 0.74 PTGDR2 (0.43) MAPTAKR1B1KMT2A
SCHEMBL711290 0.73 PTGDR2 (0.44)
SCHEMBL710713 0.73 PTGDR2 (0.47) MAPTMAPK1NPSR1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US claimed
EP-2346807-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP claimed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US claimed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO claimed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
EP-2346807-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 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-20100137250-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 ALDH1A1 754/4885SMN1; SMN2 3571/4885MAPT 4559/4885

“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.