SCHEMBL12715293

SCHEMBL12715293

COC(=O)c1ccc(C(=O)NOCCNC(=O)CCCC[C@H]2SCC3NC(=O)NC32)cc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
TPSAB1 Q15661 2/20 0.48
F2 P00734 1/20 0.48
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
TDP1 Q9NUW8 2/20 0.47
HPSE Q9Y251 1/20 0.47
LY6K Q17RY6 1/20 0.46
PKM P14618 2/20 0.46
L3MBTL3 Q96JM7 1/20 0.45
PLG P00747 1/20 0.45
FOLH1 Q04609 2/20 0.45
HSP90AB1 P08238 1/20 0.45
KEAP1 Q14145 1/20 0.44
NOXO1 Q8NFA2 1/20 0.44

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
SCHEMBL13986334 0.90 HPSE (0.52) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL13986332 0.90 L3MBTL3 (0.52) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL10191057 0.89 FOLH1 (0.55) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL12640284 0.89 PRSS1 (0.37) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL21008402 0.89 FOLH1 (0.55) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL12715288 0.83 CA12 (0.57) CA12CA1CA2CA9TDP1
SCHEMBL5806320 0.80 FOLH1 (0.52) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL13986286 0.78 HPSE (0.57) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL14315660 0.78 FOLH1 (0.55) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL10246039 0.76 FOLH1 (0.58) PRSS1PRSS2PRSS3TPSAB1F2

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
US-7923582-B2 Condensation of a specifically engineered phosphine containing a cleavable linker so that a substituent of the phosphine is transferred to the azide, releasing an oxidized phosphine by-product and producing an amide bond in final product THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-04-12 US disclosed
US-7838665-B2 Chemoselective ligation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-11-23 US disclosed
US-7667012-B2 Condensation of a specifically engineered phosphine containing a cleavable linker so that a substituent of the phosphine is transferred to the azide, releasing an oxidized phosphine by-product and producing an amide bond in final product; N-azidogalactosamine THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-23 US disclosed
US-20080214801-A1 CHEMOSELECTIVE LIGATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-04 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-20080214801-A1 CHEMOSELECTIVE LIGATION PTMS, QPCT, DNPEP PRSS1 3193/4885PRSS2 3801/4885PRSS3 3302/4885

“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.