SCHEMBL709609

SCHEMBL709609

CS(=O)(=O)c1ccc(C(=O)c2cc(CC(=O)O)cc3cc4c(cc23)OCO4)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.44
PTGS1 P23219 2/20 0.44
MAOB P27338 1/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 5/20 0.38
HTT P42858 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
SRD5A2 P31213 1/20 0.36
RAB9A P51151 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
SCHEMBL709656 0.89 PTGS1 (0.46) PTGS2PTGS1ALDH1A1LMNAHTT
SCHEMBL13354106 0.83 AKR1C3 (0.42)
SCHEMBL709689 0.82 PTGDR2 (0.40) PTGS2SRD5A2
SCHEMBL707811 0.80 PTGDR2 (0.43) MAPTSRD5A2
SCHEMBL709618 0.80 AKR1B1 (0.44) SRD5A2
SCHEMBL710713 0.79 PTGDR2 (0.47) PTGS2PTGS1NPSR1MAPT
SCHEMBL709910 0.79 PTGDR2 (0.54) PTGS2PTGS1NPSR1MAPT
SCHEMBL711290 0.79 PTGDR2 (0.44)
SCHEMBL709928 0.77 AKR1C3 (0.51) PTGS2PTGS1ALDH1A1HTTNPSR1
SCHEMBL709088 0.77 PTGS1 (0.51) PTGS2PTGS1ALDH1A1HTTNPSR1

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 10 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
CN-102216249-A Naphthylacetic acids HOFFMANN LA ROCHE 2011-10-12 CN claimed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US 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
CN-102216249-A Naphthylacetic acids HOFFMANN LA ROCHE 2011-10-12 CN 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

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 PTGS2 479/4885PTGS1 488/4885MAOB 1210/4885

“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.