SCHEMBL4094035

SCHEMBL4094035

CCCOc1ccc(-c2csc(N)c2C(=O)OCC)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 11/20 0.73
ALDH1A1 P00352 9/20 0.68
MAPT P10636 6/20 0.68
HPGD P15428 3/20 0.68
GAA P10253 2/20 0.68
RECQL P46063 1/20 0.68
HSD17B10 Q99714 5/20 0.67
PRKCI P41743 2/20 0.67
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
ALOX15 P16050 3/20 0.62
USP2 O75604 1/20 0.62
MPI P34949 1/20 0.56
KEAP1 Q14145 1/20 0.56
MAPK1 P28482 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
TSHR P16473 1/20 0.54
LMNA P02545 1/20 0.49

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
SCHEMBL5918943 0.87 PRKCZ (0.71) PRKCZALDH1A1MAPTHPGDGAA
SCHEMBL689196 0.86 PRKCZ (0.78) PRKCZALDH1A1MAPTHPGDGAA
SCHEMBL4097190 0.86 ALDH1A1 (0.62) PRKCZALDH1A1MAPTHPGDGAA
Hydrochloric Acid SCHEMBL5918938 0.86 PRKCZ (0.70) PRKCZALDH1A1MAPTHPGDGAA
SCHEMBL5919393 0.85 PRKCZ (0.68) PRKCZALDH1A1MAPTHPGDGAA
SCHEMBL5919274 0.85 PRKCZ (0.68) PRKCZALDH1A1MAPTHPGDGAA
SCHEMBL5919218 0.85 PRKCZ (0.68) PRKCZALDH1A1MAPTHPGDGAA
SCHEMBL8289654 0.84 PRKCZ (1.00) PRKCZALDH1A1MAPTHPGDGAA
SCHEMBL690278 0.84 PRKCZ (0.84) PRKCZALDH1A1MAPTHPGDGAA
SCHEMBL5919183 0.84 PRKCZ (0.67) PRKCZALDH1A1MAPTHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 PRKCZ 144/4885ALDH1A1 1426/4885MAPT 3755/4885

“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.