SCHEMBL6196838

SCHEMBL6196838

C=C(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Sc2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.40
SKP1 P63208 2/20 0.40
SKP2 Q13309 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HDAC4 P56524 1/20 0.39
TACR1 P25103 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
PDK2 Q15119 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.37
USP30 Q70CQ3 1/20 0.37
SFRP1 Q8N474 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KIT P10721 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL7847220 0.92 HDAC4 (0.42) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL6196799 0.88 LMNA (0.39) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL6197969 0.86 ITGB2 (0.40) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL6196136 0.86 ITGB2 (0.42) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL6196105 0.85 ITGB2 (0.40) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL7847221 0.82 HDAC4 (0.43) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL6198437 0.79 ITGAL (0.50) KDM4EMAPT
SCHEMBL6197134 0.78 ITGB2 (0.43) MAPT
SCHEMBL6196849 0.78 ITGAL (0.59)
SCHEMBL6199338 0.77 ITGAL (0.43) MAPT

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 9 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-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 CKS1B 2666/4885SKP1 2033/4885SKP2 1640/4885

“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.