SCHEMBL79783

SCHEMBL79783

CC(C)(C)OC(=O)NC1(C=Cc2ccc(OCCCc3cccc(Br)c3)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
GLS O94925 2/20 0.31
S1PR1 P21453 1/20 0.30

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
SCHEMBL79782 1.00 AAK1 (0.32) AAK1CTSBCTSSCTSKGLS
SCHEMBL80139 0.93 AAK1 (0.33) AAK1GLSS1PR1
SCHEMBL80138 0.93 AAK1 (0.33) AAK1GLSS1PR1
SCHEMBL86586 0.92 NPC1 (0.32) AAK1S1PR1
SCHEMBL3631730 0.92 NPC1 (0.32) AAK1S1PR1
SCHEMBL81329 0.92 S1PR1 (0.36) AAK1S1PR1
SCHEMBL81328 0.92 S1PR1 (0.36) AAK1S1PR1
SCHEMBL81113 0.85 PTPN1 (0.33) AAK1CTSSCTSK
SCHEMBL81114 0.85 PTPN1 (0.33) AAK1CTSSCTSK
SCHEMBL2466662 0.85 THRA (0.42) AAK1S1PR1

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
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C AAK1 2926/4885CTSB 3956/4885CTSS 4376/4885

“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.