SCHEMBL2294880

SCHEMBL2294880

CCC(=O)Sc1[c]cccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CES1 P23141 3/20 0.33
CES2 O00748 2/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
TSHR P16473 2/20 0.30
HTT P42858 1/20 0.30
HSD11B1 P28845 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4918564 0.79 TSHR (0.43) MAPTGAAALDH1A1HPGDTSHR
SCHEMBL2039663 0.79 CA12 (0.41) CES1CES2ALDH1A1HPGD
SCHEMBL5134162 0.76 SRC (0.33) MAPTL3MBTL1CES1CES2ALDH1A1
SCHEMBL11701641 0.75 ALDH1A1 (0.45) MAPTL3MBTL1SMN1; SMN2GAAALDH1A1
SCHEMBL2721515 0.75 TSHR (0.33) MAPTL3MBTL1ALDH1A1HPGDTSHR
SCHEMBL4056278 0.74 ALDH1A1 (0.34) SMN1; SMN2GAAALDH1A1
SCHEMBL4910226 0.74 TSHR (0.35) MAPTL3MBTL1SMN1; SMN2GAAALDH1A1
SCHEMBL23581634 0.73 CYP3A4 (0.34)
SCHEMBL9073847 0.73 KDM4E (0.33) ALDH1A1HPGD
SCHEMBL11687013 0.72 CES1 (0.38) MAPTL3MBTL1SMN1; SMN2CES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US claimed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 US claimed
EP-1960518-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-27 EP claimed
WO-2007067559-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-14 WO claimed
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 US disclosed
EP-1960518-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-27 EP disclosed
WO-2007067559-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-14 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 MAPT 4800/4885L3MBTL1 297/4885SMN1; SMN2 4231/4885

“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.