SCHEMBL1966704

SCHEMBL1966704

N#Cc1ccc(NC2CCC(C(=O)O)C2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.41
CXCR1 P25024 2/20 0.41
NOTUM Q6P988 1/20 0.38
IRAK4 Q9NWZ3 6/20 0.36
TNF P01375 4/20 0.36
MEN1 O00255 1/20 0.35
TTR P02766 1/20 0.35
ALB P02768 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP11B2 P19099 1/20 0.34
UBE2N P61088 1/20 0.33
NR3C1 P04150 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
SCHEMBL2335568 0.85 JAK2 (0.43) CXCR2CXCR1NOTUMIRAK4TNF
SCHEMBL1964260 0.85 JAK2 (0.43) CXCR2CXCR1NOTUMIRAK4TNF
SCHEMBL7920895 0.83 IRAK4 (0.43) CXCR2CXCR1IRAK4MEN1TTR
SCHEMBL12391599 0.83 HPGD (0.44) CXCR2CXCR1MEN1KMT2A
SCHEMBL2344279 0.78 EPHX1 (0.47) MEN1KMT2ANPC1RAB9AUBE2N
SCHEMBL12391596 0.78 EPHX1 (0.47) MEN1KMT2ANPC1RAB9AUBE2N
SCHEMBL1966247 0.78 EPHX1 (0.47) MEN1KMT2ANPC1RAB9AUBE2N
SCHEMBL20302207 0.75 KDM4E (0.48) CXCR2CXCR1NOTUMIRAK4TNF
SCHEMBL20302185 0.71 HCAR3 (0.52) MEN1KMT2ARAB9A
SCHEMBL12391600 0.71 JAK2 (0.43) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 CXCR2 341/4885CXCR1 144/4885NOTUM 3420/4885

“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.