SCHEMBL6155611

SCHEMBL6155611

COc1cc(OC)c(NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 5/20 0.59
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
CRHBP P24387 2/20 0.58
CRHR2 Q13324 2/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
EPHX1 P07099 1/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.54
SETD7 Q8WTS6 1/20 0.53
ALDH1A1 P00352 3/20 0.53

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
SCHEMBL6811060 0.88 MAPT (0.63) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL6154649 0.77 MAPT (1.00) MAPTTDP1L3MBTL1SMN1; SMN2GAA
SCHEMBL6811066 0.76 SETD7 (0.57) MAPTL3MBTL1RAB9ASMN1; SMN2MEN1
SCHEMBL5457060 0.76 ALDH1A1 (0.68) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6815685 0.76 ALDH1A1 (0.65) MAPTSMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL6815664 0.75 MAPT (0.68) MAPTRAB9ASMN1; SMN2GAAMEN1
SCHEMBL6154317 0.75 MAPT (0.82) MAPTTDP1L3MBTL1RAB9AGAA
SCHEMBL6815299 0.75 ALDH1A1 (0.58) MAPTL3MBTL1RAB9ASMN1; SMN2GAA
SCHEMBL6155197 0.74 GAA (0.74) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL12305616 0.73 HTT (0.67) MAPTRAB9ASMN1; SMN2GAAMEN1

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 3 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 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 MAPT 3318/4885TDP1 219/4885L3MBTL1 279/4885

“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.