SCHEMBL6199516

SCHEMBL6199516

C=C(C(=O)N1CCCC(C(=O)NS(=O)(=O)c2ccc(C)cc2)C1)c1ccc(SC2COCC(Cc3ccccc3)O2)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 4/20 0.35
RHOA P61586 3/20 0.34
PAX8 Q06710 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HPN P05981 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33

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
SCHEMBL6197686 0.91 RHOA (0.35) ALDH1A1RHOAKMT2AMEN1SMN1; SMN2
SCHEMBL6196754 0.86 ITGB2 (0.37) KDM4ERHOALMNACYP2C19POLB
SCHEMBL6198455 0.86 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2HTTCYP3A4
SCHEMBL6198649 0.83 STS (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL6196884 0.80 CYP2C9 (0.37) KMT2AMEN1SMN1; SMN2GAALMNA
SCHEMBL6198867 0.80 CYP2C9 (0.35) KMT2AMEN1LMNACYP2C19
SCHEMBL6200681 0.78 MEN1 (0.34) KMT2AMEN1LMNACYP2C19
SCHEMBL6196669 0.78 L3MBTL3 (0.37) CYP2C19OPRK1MAPT
SCHEMBL6196373 0.76 ALDH1A1 (0.44) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6202732 0.76 L3MBTL1 (0.37) KDM4EALDH1A1PAX8KMT2AMEN1

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-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
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 KDM4E 2941/4885MAPK1 1077/4885ATM 3303/4885

“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.