SCHEMBL2172648

SCHEMBL2172648

CCS(=O)(=O)c1cnc(O)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
PSIP1 O75475 2/20 0.35
S100A9 P06702 1/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
COMT P21964 1/20 0.31
TSHR P16473 1/20 0.31
APLNR P35414 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
SCHEMBL2174000 0.79 ALDH1A1 (0.57) ALDH1A1S100A9KMT2ALMNAHTT
SCHEMBL21633471 0.79 ALDH1A1 (0.38) ALDH1A1PSIP1LMNAHTTGAA
SCHEMBL3999082 0.77 ALDH1A1 (0.44) ALDH1A1KMT2ALMNAHTTGAA
SCHEMBL17703478 0.73 PSIP1 (0.36) ALDH1A1PSIP1S100A9KMT2ALMNA
SCHEMBL16114955 0.70 ALDH1A1 (0.47) ALDH1A1PSIP1KMT2AMEN1GAA
SCHEMBL12806897 0.69 NOS3 (0.35) KMT2AHTTGAAMAPTNPC1
SCHEMBL17200426 0.69 GAA (0.41) ALDH1A1PSIP1KMT2AMEN1GAA
SCHEMBL16248199 0.69 ALDH1A1 (0.34) ALDH1A1PSIP1S100A9KMT2ALMNA
SCHEMBL4934516 0.69 PSIP1 (0.43) ALDH1A1PSIP1LMNAGAANPC1
SCHEMBL2175053 0.68 GAA (0.44) PSIP1KMT2ALMNAMEN1HTT

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
CN-102216265-B Naphthylacetic acid HOFFMANN LA ROCHE 2014-04-30 CN 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
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
CN-102216265-A Naphthylacetic acid HOFFMANN LA ROCHE 2011-10-12 CN 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
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

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 746/4885PSIP1 4297/4885S100A9 3535/4885

“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.