SCHEMBL6154121

SCHEMBL6154121

C/C(=N/OCC(=O)O)c1cccc(Nc2nnc(-c3cccc(Oc4cccc(C(F)(F)F)c4)c3)s2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.46
ROCK2 O75116 3/20 0.46
MAPT P10636 7/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
MAPK1 P28482 2/20 0.40
GAA P10253 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
USP8 P40818 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL6154124 1.00 ROCK1 (0.46) ROCK1ROCK2MAPTNPC1RAB9A
SCHEMBL5556693 0.89 ROCK1 (0.49) ROCK1ROCK2MAPTNPC1RAB9A
SCHEMBL5556610 0.86 AKR1C3 (0.44) ROCK1ROCK2MAPTNPC1RAB9A
SCHEMBL5556608 0.85 ROCK2 (0.50) ROCK1ROCK2MAPTNPC1RAB9A
SCHEMBL6154296 0.83 CFTR (0.43) ROCK1ROCK2MAPTNPC1RAB9A
SCHEMBL6154291 0.83 CFTR (0.43) ROCK1ROCK2MAPTNPC1RAB9A
SCHEMBL5557359 0.82 MAPT (0.49) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL6153554 0.80 AKR1C3 (0.47) ROCK1ROCK2MAPTPPARGMAPK1
SCHEMBL8611093 0.75 KMT2A (0.56) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL5556656 0.74 PARP10 (0.53) ALDH1A1GAAKMT2A

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 ROCK1 3290/4885ROCK2 3224/4885MAPT 3318/4885

“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.