SCHEMBL6153554

SCHEMBL6153554

O=C(O)c1cccc(Nc2nnc(-c3cc(Oc4cccc(C(F)(F)F)c4)cc(Oc4cccc(C(F)(F)F)c4)c3)s2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
AURKA O14965 1/20 0.46
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
MAPT P10636 4/20 0.45
MRGPRX4 Q96LA9 1/20 0.43
GAA P10253 1/20 0.43
CFTR P13569 1/20 0.43
AKR1B1 P15121 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C1 Q04828 1/20 0.42
NR1H4 Q96RI1 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PPARG P37231 2/20 0.41
NR4A2 P43354 1/20 0.41

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
SCHEMBL5556608 0.95 ROCK2 (0.50) AKR1C3AKR1C2AURKAROCK2ROCK1
SCHEMBL5556610 0.86 AKR1C3 (0.44) AKR1C3AKR1C2ROCK2ROCK1MAPT
SCHEMBL6154372 0.86 NPC1 (0.53) AKR1C3AKR1C2ROCK2ROCK1MAPT
SCHEMBL5557359 0.83 MAPT (0.49) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL6154296 0.83 CFTR (0.43) AURKAROCK2ROCK1MAPTGAA
SCHEMBL6154291 0.83 CFTR (0.43) AURKAROCK2ROCK1MAPTGAA
SCHEMBL6154124 0.80 ROCK1 (0.46) ROCK2ROCK1MAPTGAACFTR
SCHEMBL6154121 0.80 ROCK1 (0.46) ROCK2ROCK1MAPTGAACFTR
SCHEMBL6153845 0.77 GUSB (0.48) MAPTNPSR1L3MBTL1MEN1KMT2A
SCHEMBL5552801 0.76 MAPT (0.39) MAPTGAAKDM4ECYP1A2CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US claimed

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP AKR1C3 4447/4885AKR1C2 4232/4885AURKA 3725/4885

“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.