SCHEMBL710644

SCHEMBL710644

CS(=O)(=O)c1ccc(Cc2cc(CC(=O)O)cc3cc(C(F)(F)F)ccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.47
PTGS2 P35354 2/20 0.44
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
AKR1C3 P42330 1/20 0.41
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
KCNH2 Q12809 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL710714 0.92 PTGDR2 (0.47) PTGDR2PTGS2RXRARXRBRXRG
SCHEMBL707774 0.84 PTGDR2 (0.46) PTGDR2PTGS2RXRARXRBRXRG
SCHEMBL710158 0.80 PTGDR2 (0.59) PTGDR2
SCHEMBL709244 0.78 PTGDR2 (0.47) PTGDR2PTGS2
SCHEMBL710847 0.77 PTGDR2 (0.46) PTGDR2PTGS2RXRARXRBRXRG
SCHEMBL11466964 0.71 PSEN1 (0.60) RXRARXRBRXRGAKR1C3PSEN1
SCHEMBL3746771 0.71 AKR1B1 (0.53) AKR1C3
SCHEMBL711695 0.70 PTGDR2 (0.53) PTGDR2
SCHEMBL710210 0.70 PTGDR2 (0.48) PTGDR2
SCHEMBL709257 0.69 PTGDR2 (0.45) PTGDR2

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 PTGDR2 39/4885PTGS2 479/4885RXRA 68/4885

“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.