SCHEMBL6317504

SCHEMBL6317504

C=C(C(=O)O)c1ccc(Sc2cccc(N3CCC(C(=O)OCC)CC3)c2)c(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.44
ALDH1A1 P00352 7/20 0.42
MAPT P10636 3/20 0.42
PDK2 Q15119 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL6201628 0.87 LGMN (0.47) LGMNALDH1A1HSD17B10KDM4ESMN1; SMN2
SCHEMBL6315904 0.82 SMN1; SMN2 (0.45) ALDH1A1HSD17B10KDM4ESMN1; SMN2POLB
SCHEMBL6570043 0.82 ITGB2 (0.45) LGMNALDH1A1MAPTPDK2HSD17B10
SCHEMBL6317517 0.82 ITGB2 (0.45) LGMNALDH1A1MAPTPDK2HSD17B10
SCHEMBL6317373 0.80 NOTUM (0.39) ALDH1A1KDM4E
SCHEMBL6200064 0.80 KMO (0.44) ALDH1A1MAPTMEN1KMT2A
SCHEMBL6308942 0.79 NOTUM (0.43) ALDH1A1L3MBTL1
SCHEMBL6309479 0.77 NOTUM (0.41) ALDH1A1PDK2
SCHEMBL6310410 0.77 NOTUM (0.41) ALDH1A1PDK2SMN1; SMN2
SCHEMBL6311315 0.77 ITGAL (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US 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

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 LGMN 2487/4885ALDH1A1 484/4885MAPT 3667/4885

“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.