SCHEMBL3334735

SCHEMBL3334735

COC(=O)C1(NC(=O)OCc2ccccc2)CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.53
CTSS P25774 5/20 0.52
CTSL P07711 4/20 0.52
CTSB P07858 3/20 0.52
CTSK P43235 4/20 0.49
OPRM1 P35372 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP3A4 P08684 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
PPIA P62937 1/20 0.42

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
SCHEMBL1763776 0.92 TLR2 (0.52) TLR2CTSSCTSLCTSBCTSK
Hydrochloric Acid SCHEMBL22462018 0.91 TLR2 (0.53) TLR2CTSSCTSLCTSBCTSK
SCHEMBL1189554 0.91 CTSS (0.57) CTSSCTSLCTSBCTSKSMN1; SMN2
Hydrochloric Acid SCHEMBL29158039 0.89 CTSS (0.56) TLR2CTSSCTSLCTSBCTSK
SCHEMBL7818404 0.88 TLR2 (0.53) TLR2CTSSCTSLCTSBCTSK
SCHEMBL25597451 0.86 TLR2 (0.60) TLR2CTSSCTSLCTSBCTSK
SCHEMBL29017562 0.85 CTSS (0.49) TLR2CTSSCTSLCTSBCTSK
SCHEMBL21777615 0.85 CTSS (0.49) TLR2CTSSCTSLCTSBCTSK
SCHEMBL2746328 0.85 CTSS (0.52) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL5516561 0.85 CTSS (0.52) CTSSCTSLCTSBCTSKSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144751-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-06-10 US disclosed
EP-2139888-A2 IMIDAZOÝ1,2-A¨PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-01-06 EP disclosed
WO-2008121687-A2 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-10-09 WO disclosed
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO disclosed
EP-0231087-B1 HEPTANOYL-GLU-ASP-ALA-AMINO ACID IMMUNOSTIMULANTS PFIZER INC. (US) 1992-03-25 EP disclosed
US-4851388-A Heptanoyl-glu-asp-ala-amino acid immunostimulants PFIZER INC. (US) 1989-07-25 US disclosed
EP-0231087-A2 Heptanoyl-glu-asp-ala-amino acid immunostimulants PFIZER INC. (US) 1987-08-05 EP disclosed
WO-1987004440-A1 HEPTANOYL-GLU-ASP-ALA-AMINO ACID IMMUNOSTIMULANTS PFIZER INC. (US) 1987-07-30 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 (2 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-20100144751-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS PIM1, PIM3, PIM2 TLR2 1457/4885CTSS 4604/4885CTSL 4311/4885
US-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG TLR2 672/4885CTSS 792/4885CTSL 482/4885

“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.