SCHEMBL6199368

SCHEMBL6199368

C=C(C(=O)N1CCN(C(C)=O)CC1)c1ccc(SC2COCC(Cc3ccccc3)O2)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
FAAH O00519 2/20 0.39
MGLL Q99685 2/20 0.39
ITGB2 P05107 4/20 0.37
ICAM1 P05362 4/20 0.37
ITGAL P20701 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
BLM P54132 1/20 0.37
THRB P10828 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL6200007 0.92 SMN1; SMN2 (0.40) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6200167 0.91 ALDH1A1 (0.40) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6199298 0.91 HTT (0.44) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6199965 0.88 HTT (0.42) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6198094 0.88 KMT2A (0.48) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6199878 0.87 MEN1 (0.34) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL6198867 0.85 CYP2C9 (0.35) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL6199130 0.85 SMN1; SMN2 (0.40) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6198026 0.84 HTT (0.38) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6199842 0.84 ALDH1A1 (0.47) HTTSMN1; SMN2ALDH1A1KMT2AMAPT

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 10 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 claimed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP claimed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US claimed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US claimed
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

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 HTT 4028/4885SMN1; SMN2 3657/4885ALDH1A1 484/4885

“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.