SCHEMBL6154296

SCHEMBL6154296

CC(=NNc1ccc(C(=O)O)cc1)c1cccc(Nc2nnc(-c3cccc(Oc4cccc(C(F)(F)F)c4)c3)s2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.43
MAPT P10636 8/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CSNK2A1 P68400 1/20 0.38
AURKA O14965 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL6154291 1.00 CFTR (0.43) CFTRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5556608 0.88 ROCK2 (0.50) CFTRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5556610 0.85 AKR1C3 (0.44) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6154121 0.83 ROCK1 (0.46) CFTRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6154124 0.83 ROCK1 (0.46) CFTRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6153554 0.83 AKR1C3 (0.47) CFTRMAPTGAAKDM4EROCK2
SCHEMBL5557359 0.80 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1111056 0.78 CFTR (0.66) CFTRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6155247 0.77 CFTR (0.47) CFTRMAPTNPC1RAB9AALDH1A1
SCHEMBL6153748 0.74 GUSB (0.54) MAPTALDH1A1ROCK2ROCK1MEN1

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 4 patents. 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
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP CFTR 2788/4885MAPT 3318/4885NPC1 4548/4885

“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.