Sugi Predict

Sugi Predict / Compounds / SCHEMBL2173225

SCHEMBL2173225

SCHEMBL2173225

CCS(=O)(=O)c1ccc(Oc2cc(CC(=O)O)cc3ccc(Br)cc23)nc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PTGDR2 Q9Y5Y4 9/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ADAMTS4 O75173 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ ADAMTS5 Q9UNA0 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ AGPAT2 O15120 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ RORC P51449 2/20 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
SCHEMBL2171148 0.90 LMNA (0.36) ALDH1A1HTTLMNAPOLBTSHR
SCHEMBL2171136 0.89 PTGDR2 (0.39) ALDH1A1HTTPTGDR2NPSR1PTGDR
SCHEMBL2173195 0.89 ALDH1A1 (0.39) ALDH1A1HTTLMNAPOLBTSHR
SCHEMBL13356179 0.88 PTGDR2 (0.34) ALDH1A1HTTPTGDR2ADAMTS4MMP1
SCHEMBL3247626 0.88 PTGDR2 (0.46) PTGDR2
SCHEMBL2171534 0.87 PTGS1 (0.46) HTTPTGDR2NPSR1RORC
SCHEMBL2173576 0.87 ALDH1A1 (0.39) ALDH1A1HTTLMNAPOLBTSHR
SCHEMBL2171225 0.86 PTGDR2 (0.42) ALDH1A1HTTPTGDR2NPSR1RORC
SCHEMBL3233217 0.86 PTGDR2 (0.45) PTGDR2RORC
SCHEMBL2172623 0.85 SRD5A2 (0.40) ALDH1A1POLBPTGDR2MEN1KMT2A

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 13 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 claimed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 — — US claimed
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
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
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 — — 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-20100125058-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 ALDH1A1 746/4885HTT 4170/4885LMNA 1698/4885

“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.