SCHEMBL5830744

SCHEMBL5830744

CC(=O)c1ccc(Sc2ccccc2Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
USP7 Q93009 1/20 0.46
ITGB2 P05107 2/20 0.43
ICAM1 P05362 2/20 0.43
ITGAL P20701 2/20 0.43
HPGD P15428 4/20 0.43
LMNA P02545 3/20 0.43
RAB9A P51151 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
AR P10275 1/20 0.41
PKM P14618 1/20 0.40
S100A4 P26447 1/20 0.40
PDE7A Q13946 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9535335 0.84 MAPT (0.53) MAPTL3MBTL1POLBALDH1A1MEN1
SCHEMBL13239476 0.81 HPGD (0.62) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL6519931 0.80 HPGD (0.42) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL9538378 0.80 USP7 (0.59) MAPTL3MBTL1POLBALDH1A1MEN1
SCHEMBL4131936 0.79 ALDH1A1 (0.42) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL9539520 0.78 ALDH1A1 (0.45) MAPTL3MBTL1POLBALDH1A1MEN1
SCHEMBL27275939 0.77 ALDH1A1 (0.51) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL28556474 0.76 MAPT (0.45) MAPTL3MBTL1POLBALDH1A1MEN1
SCHEMBL11293089 0.76 ATM (0.53) MAPTL3MBTL1POLBALDH1A1MEN1
SCHEMBL30044055 0.74 MAPT (0.46) MAPTL3MBTL1POLBALDH1A1MEN1

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-RE39197-E1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2006-07-18 US disclosed
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US disclosed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP disclosed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed
US-6110922-A ARYL SULFIDE CONTAINING PENDANT CIS- OR TRANS-CINNAMIDE GROUPS ABBOTT LABORATORIES (US) 2000-08-29 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-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ICAM1, VCAM1, EPCAM MAPT 3667/4885L3MBTL1 2584/4885POLB 4817/4885

“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.