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SCHEMBL709656

SCHEMBL709656

CS(=O)(=O)c1cccc(C(=O)c2cc(CC(=O)O)cc3cc4c(cc23)OCO4)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.46
▸ PTGS2 P35354 2/20 0.46
▸ AGBL2 Q5U5Z8 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 3/20 0.39
▸ VNN1 O95497 5/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 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
SCHEMBL709609 0.89 PTGS2 (0.44) PTGS1PTGS2ALDH1A1GAARAB9A
SCHEMBL709556 0.82 ALDH1A1 (0.50) PTGDR2ALDH1A1HSD17B10GAAVNN1
SCHEMBL709278 0.81 PTGDR2 (0.56) PTGDR2ALDH1A1HSD17B10GAAVNN1
SCHEMBL710345 0.81 PTGDR2 (0.43) PTGDR2ALDH1A1HSD17B10GAAVNN1
SCHEMBL13354106 0.72 AKR1C3 (0.42) PTGDR2
SCHEMBL709689 0.71 PTGDR2 (0.40) PTGS2PTGDR2
SCHEMBL709618 0.71 AKR1B1 (0.44) PTGDR2
SCHEMBL707811 0.69 PTGDR2 (0.43) PTGDR2MAPT
SCHEMBL710713 0.68 PTGDR2 (0.47) PTGS1PTGS2PTGDR2HSD17B10MAPT
SCHEMBL709910 0.68 PTGDR2 (0.54) PTGS1PTGS2PTGDR2HSD17B10MAPT

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 11 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
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 PTGS1 488/4885PTGS2 479/4885AGBL2 3903/4885

“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.