SCHEMBL710847

SCHEMBL710847

CS(=O)(=O)c1ccc(C(=O)c2cc(CC(=O)O)cc3ccc(C(F)(F)F)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.46
AKR1C3 P42330 1/20 0.45
PTGS2 P35354 3/20 0.41
PTGS1 P23219 1/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
SRD5A2 P31213 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CCR2 P41597 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 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
SCHEMBL707774 0.92 PTGDR2 (0.46) PTGDR2AKR1C3PTGS2PTGS1RXRA
SCHEMBL709910 0.86 PTGDR2 (0.54) PTGDR2AKR1C3PTGS2PTGS1
SCHEMBL710714 0.85 PTGDR2 (0.47) PTGDR2AKR1C3PTGS2RXRARXRB
SCHEMBL707811 0.84 PTGDR2 (0.43) PTGDR2AKR1C3SRD5A2
SCHEMBL13354044 0.84 SRD5A2 (0.38) PTGDR2RXRARXRBRXRGSRD5A2
SCHEMBL711290 0.84 PTGDR2 (0.44) PTGDR2AKR1C3
SCHEMBL709689 0.82 PTGDR2 (0.40) PTGDR2AKR1C3PTGS2SRD5A2
SCHEMBL709618 0.82 AKR1B1 (0.44) PTGDR2AKR1C3SRD5A2
SCHEMBL709928 0.82 AKR1C3 (0.51) AKR1C3PTGS2PTGS1SRD5A2CYP11B1
SCHEMBL13354106 0.81 AKR1C3 (0.42) PTGDR2AKR1C3

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 PTGDR2 39/4885AKR1C3 120/4885PTGS2 479/4885

“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.