SCHEMBL2858587

SCHEMBL2858587

O=C(NC(Cc1ccccc1)C1CCCCC1)c1cccc(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.51
ACKR3 P25106 2/20 0.46
CTSS P25774 1/20 0.44
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
PYGL P06737 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
C3AR1 Q16581 1/20 0.41
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
DHODH Q02127 1/20 0.40
KAT6A Q92794 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40

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
SCHEMBL2861403 0.87 L3MBTL1 (0.49) PSMB5ACKR3ITGB2ICAM1ITGAL
SCHEMBL5470915 0.85 DHODH (0.44) PSMB5PYGLALDH1A1MMEACE
SCHEMBL2857888 0.83 PSMB5 (0.52) PSMB5ACKR3PYGLALDH1A1DHODH
SCHEMBL2856055 0.81 PTGES (0.45)
SCHEMBL5468240 0.80 ITGA4 (0.54) PSMB5ACKR3PYGLALDH1A1ITGB1
SCHEMBL2861620 0.80 CTRB1 (0.51) CTSSALDH1A1MMEACECPA1
SCHEMBL5453401 0.79 ACKR3 (0.46) ACKR3ALDH1A1
SCHEMBL2856032 0.79 HPGD (0.51) ACKR3ALDH1A1SGMS2TDP1
SCHEMBL2857264 0.79 PYGL (0.46) PSMB5ACKR3PYGLPOLBDHODH
SCHEMBL2870660 0.77 CNR2 (0.47) ACKR3CTSSITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 EP disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 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-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 PSMB5 808/4885ACKR3 1451/4885CTSS 3344/4885

“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.