SCHEMBL2802887

SCHEMBL2802887

CC(C)C#Cc1ccc(Br)cc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.42
SLC6A4 P31645 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALPL P05186 3/20 0.33
PTPN1 P18031 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
RRM1 P23921 1/20 0.32
RRM2B Q7LG56 1/20 0.32

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
SCHEMBL2802175 0.77 CA12 (0.40)
SCHEMBL29993215 0.76 KCNJ1 (0.39) HRH4MAOAMAOBALPLPTPN1
SCHEMBL7660043 0.76 KCNJ1 (0.39) HRH4MAOAMAOBALPLPTPN1
SCHEMBL16596449 0.74 HRH4 (0.34) HRH4MAOAMAOBALPLPTPN1
SCHEMBL12868653 0.72 HRH4 (0.43) HRH4SLC6A4MAOAMAOBALPL
SCHEMBL3007597 0.71 SLC6A4 (0.44) HRH4SLC6A4MAOAMAOBALPL
SCHEMBL27757778 0.71 HRH4 (0.42) HRH4SLC6A4MAOAMAOBALPL
SCHEMBL4704298 0.70 MAPK1 (0.43) HRH4SLC6A4MAOAMAOBALPL
SCHEMBL16952339 0.70 HRH4 (0.39) HRH4SLC6A4MAOAMAOBALPL
SCHEMBL20303638 0.70 HRH4 (0.39) HRH4SLC6A4MAOAMAOBALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
WO-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 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-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy PTGER1, SULT2A1, SULT1E1 HRH4 652/4885SLC6A4 1213/4885MAOA 440/4885

“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.