SCHEMBL10123276

SCHEMBL10123276

CCCCCCNC(=O)[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.66
TLR2 O60603 18/20 0.61
TLR1 Q15399 18/20 0.61

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
SCHEMBL870999 1.00 SIGMAR1 (0.66) SIGMAR1TLR2TLR1
SCHEMBL17748295 0.99 SIGMAR1 (0.67) SIGMAR1TLR2TLR1
SCHEMBL7950428 0.94 SIGMAR1 (0.69) SIGMAR1TLR2TLR1
SCHEMBL7950429 0.94 SIGMAR1 (0.69) SIGMAR1TLR2TLR1
SCHEMBL11099171 0.86 SIGMAR1 (0.50) SIGMAR1TLR2TLR1
SCHEMBL11099169 0.86 SIGMAR1 (0.50) SIGMAR1TLR2TLR1
SCHEMBL11103397 0.86 SIGMAR1 (0.50) SIGMAR1TLR2TLR1
SCHEMBL11103394 0.86 SIGMAR1 (0.50) SIGMAR1TLR2TLR1
SCHEMBL4867322 0.84 SIGMAR1 (0.63) SIGMAR1TLR2TLR1
SCHEMBL4872861 0.84 SIGMAR1 (0.63) SIGMAR1TLR2TLR1

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
US-20120077959-A1 Asymmetric Cobalt-Catalyzed Cyclopropanation With Succinimidyl Diazoacetate NATIONAL SCIENCE FOUNDATION 2012-03-29 US disclosed
US-20120077959-A1 Asymmetric Cobalt-Catalyzed Cyclopropanation With Succinimidyl Diazoacetate NATIONAL SCIENCE FOUNDATION 2012-03-29 US disclosed
WO-2010094029-A2 ASYMMETRIC CYCLOPROPANATION WITH SUCCINIMIDYL DIAZOACETATE UNIVERSITY OF SOUTH FLORIDA (US) 2010-08-19 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-20120077959-A1 Asymmetric Cobalt-Catalyzed Cyclopropanation With Succinimidyl Diazoacetate SI, STOM, SUCLA2 SIGMAR1 4290/4885TLR2 1175/4885TLR1 3532/4885

“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.