SCHEMBL6091592

SCHEMBL6091592

C[C@@H](C(N)=O)N(C(=O)Cc1cc(F)cc(F)c1)C1C(=O)N(CCN(C)C)c2cc(Cl)ccc2SC1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
CACNA1S Q13698 7/20 0.37
CYP3A4 P08684 4/20 0.37
LMNA P02545 4/20 0.37
KCNH2 Q12809 4/20 0.37
ABCB11 O95342 3/20 0.37
TSHR P16473 2/20 0.37
SLC22A1 O15245 2/20 0.37
CACNA1F O60840 2/20 0.37
ABCB1 P08183 2/20 0.37
HRH2 P25021 2/20 0.37
ADRA1A P35348 2/20 0.37
SCN1A P35498 2/20 0.37
SCN4A P35499 2/20 0.37
SCN7A Q01118 2/20 0.37
CACNA1D Q01668 2/20 0.37
CACNA1C Q13936 2/20 0.37
SCN5A Q14524 2/20 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
SCHEMBL3343962 1.00 ITGB2 (0.38) ITGB2ICAM1ITGALCACNA1SCYP3A4
SCHEMBL3344820 0.91 CACNA1S (0.41) ITGB2ICAM1ITGALCACNA1SCYP3A4
SCHEMBL3346656 0.90 PSEN1 (0.36) LMNAMAPTTP53POLB
SCHEMBL3346403 0.84 SLC6A9 (0.32) LMNAMAPTTP53
SCHEMBL3552094 0.82 PSEN1 (0.36) TSHRTHRBMAPTTP53
SCHEMBL3343058 0.80 TRPV1 (0.34) HTTUSP2THRBTDP1RAB9A
SCHEMBL3342441 0.79 PSEN1 (0.33)
SCHEMBL3344045 0.79 CCKBR (0.32) MEN1KMT2AMAPTCHRM1
SCHEMBL3343964 0.78 PSEN1 (0.45) ITGB2ICAM1ITGALCACNA1SCYP3A4
SCHEMBL3342978 0.77 PSEN1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 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-20060089346-A1 Novel lactams and uses thereof BACE1, BACE2, APH1B ITGB2 2597/4885ICAM1 3390/4885ITGAL 2995/4885

“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.