Sugi Predict

Sugi Predict / Compounds / SCHEMBL2171675

SCHEMBL2171675

SCHEMBL2171675

CCS(=O)(=O)c1ccc(Oc2cc(CC(=O)OC)c(C)c3ccc(F)cc23)nc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 9/20 0.40
▸ FLT1 P17948 2/20 0.37
▸ FLT4 P35916 2/20 0.37
▸ KDR P35968 2/20 0.37
▸ MLNR O43193 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GCK P35557 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CXCR1 P25024 1/20 0.33
▸ CXCR2 P25025 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ BRD4 O60885 1/20 0.33

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
SCHEMBL2171586 0.91 PTGDR2 (0.49) PTGDR2
SCHEMBL2171495 0.83 PTGDR2 (0.43) PTGDR2CXCR1CXCR2SCN9A
SCHEMBL3239911 0.82 PTGDR2 (0.43) PTGDR2MLNRCYP2D6
SCHEMBL2171741 0.80 PTGDR2 (0.43) PTGDR2MLNRCYP2D6ALDH1A1
SCHEMBL2171663 0.78 PTGDR2 (0.42) PTGDR2MLNRCYP2D6
SCHEMBL2173913 0.78 PTGDR2 (0.42) PTGDR2MLNRCYP2D6
SCHEMBL2174352 0.76 PTGDR2 (0.41) PTGDR2MLNRCYP2D6
SCHEMBL2171952 0.75 PTGDR2 (0.64) PTGDR2
SCHEMBL3247626 0.74 PTGDR2 (0.46) PTGDR2MLNRCYP2D6
SCHEMBL2171262 0.74 HTR2C (0.35) ALDH1A1GCKHTR2C

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-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 — — US disclosed
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 — — US disclosed
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 — — US disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 — — EP disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 — — EP disclosed
EP-2346819-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 — — EP disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 — — US disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 — — US disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 — — US disclosed
WO-2010055004-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 — — WO disclosed
WO-2010055004-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-20100125058-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 PTGDR2 49/4885FLT1 4314/4885FLT4 4616/4885

“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.