SCHEMBL4097190

SCHEMBL4097190

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
MAPT P10636 4/20 0.62
HPGD P15428 3/20 0.62
GAA P10253 1/20 0.62
RECQL P46063 1/20 0.62
PRKCZ Q05513 8/20 0.52
BACE1 P56817 3/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 2/20 0.49
PRKCI P41743 1/20 0.48
HSD17B10 Q99714 3/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GRIN2C Q14957 1/20 0.46
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL4094035 0.86 PRKCZ (0.73) ALDH1A1MAPTHPGDGAARECQL
SCHEMBL13926187 0.77 ALDH1A1 (0.70) ALDH1A1MAPTHPGDGAARECQL
SCHEMBL13838083 0.77 PRKCZ (0.61) ALDH1A1MAPTHPGDGAARECQL
SCHEMBL8188234 0.75 KMT2A (0.65) ALDH1A1MAPTHPGDGAARECQL
SCHEMBL15626984 0.75 PRKCZ (0.53) ALDH1A1MAPTHPGDGAARECQL
SCHEMBL3942905 0.75 PRKCZ (0.68) ALDH1A1MAPTHPGDGAARECQL
SCHEMBL2368512 0.74 PRKCZ (0.68) ALDH1A1MAPTHPGDGAARECQL
SCHEMBL6925391 0.74 PRKCZ (0.51) ALDH1A1MAPTHPGDGAARECQL
SCHEMBL2368735 0.73 GRIN2C (0.56) ALDH1A1MAPTHPGDGAARECQL
SCHEMBL5918943 0.73 PRKCZ (0.71) ALDH1A1MAPTHPGDGAARECQL

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-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US 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 ALDH1A1 1426/4885MAPT 3755/4885HPGD 1034/4885

“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.