SCHEMBL2175053

SCHEMBL2175053

CCS(=O)(=O)c1ccc(O)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
PSIP1 O75475 2/20 0.43
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.37
COMT P21964 1/20 0.37
JAK2 O60674 1/20 0.36
KMT2A Q03164 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
MEN1 O00255 3/20 0.36
NPC1 O15118 2/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MITF O75030 1/20 0.36
MAPK1 P28482 1/20 0.36
PAX8 Q06710 1/20 0.36
RORC P51449 4/20 0.36
LMNA P02545 1/20 0.36
KCNH2 Q12809 1/20 0.35
KIF11 P52732 1/20 0.35

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
SCHEMBL1642998 0.79 ENPP2 (0.52) KDM4EKCNH2
SCHEMBL2171617 0.78 GAA (0.45) GAAPSIP1MAPTKDM4EJAK2
SCHEMBL22212570 0.78 GAA (0.45) GAAPSIP1MAPTKDM4EJAK2
SCHEMBL3474987 0.77 KDM4E (0.61) GAAMAPTKDM4ETDP1HTT
SCHEMBL30017884 0.77 KDM4E (0.61) GAAMAPTKDM4ETDP1HTT
SCHEMBL611200 0.76 KDM4E (0.60) GAAPSIP1MAPTKDM4EJAK2
SCHEMBL22068923 0.76 GAA (0.44) GAAPSIP1MAPTKDM4EJAK2
SCHEMBL14744375 0.76 MAPT (0.64) GAAPSIP1MAPTKDM4EKMT2A
SCHEMBL28605495 0.76 GAA (0.44) GAAPSIP1MAPTKDM4EJAK2
SCHEMBL16977436 0.76 GAA (0.44) GAAPSIP1MAPTKDM4EJAK2

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
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
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

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 GAA 671/4885PSIP1 4297/4885MAPT 4671/4885

“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.