SCHEMBL2173195

SCHEMBL2173195

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
THRB P10828 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MLNR O43193 3/20 0.32
ADAMTS4 O75173 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31

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
SCHEMBL2173576 0.92 ALDH1A1 (0.39) ALDH1A1HTTLMNAPOLBTSHR
SCHEMBL2173225 0.89 ALDH1A1 (0.37) ALDH1A1HTTLMNAPOLBTSHR
SCHEMBL2171148 0.87 LMNA (0.36) ALDH1A1HTTLMNAPOLBTSHR
SCHEMBL2171726 0.83 HTT (0.37) ALDH1A1HTTLMNAPOLBTSHR
SCHEMBL13356179 0.77 PTGDR2 (0.34) ALDH1A1HTTNPSR1PTGS1ADAMTS4
SCHEMBL3247626 0.77 PTGDR2 (0.46) MLNRCYP2D6
SCHEMBL2171262 0.76 HTR2C (0.35) ALDH1A1HTTTSHRNPSR1MEN1
SCHEMBL2171534 0.76 PTGS1 (0.46) HTTNPSR1PTGS1HTR2CHSD17B10
SCHEMBL3233217 0.75 PTGDR2 (0.45)
SCHEMBL3233360 0.73 PTGDR2 (0.40) PTGS1PTGS2

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
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
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
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.