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SCHEMBL12640284

SCHEMBL12640284

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 3/20 0.37
▸ PRSS2 P07478 3/20 0.37
▸ PRSS3 P35030 3/20 0.37
▸ TPSAB1 Q15661 3/20 0.37
▸ PLG P00747 2/20 0.37
▸ LY6K Q17RY6 1/20 0.37
▸ F2 P00734 2/20 0.36
▸ NOXO1 Q8NFA2 1/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ L3MBTL3 Q96JM7 1/20 0.35
▸ HPSE Q9Y251 1/20 0.35
▸ PKM P14618 2/20 0.35
▸ FOLH1 Q04609 2/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ KDM1A O60341 1/20 0.33

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
SCHEMBL12715293 0.89 PRSS1 (0.48) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL13986334 0.80 HPSE (0.52) PRSS1PRSS2PRSS3TPSAB1LY6K
SCHEMBL13986332 0.79 L3MBTL3 (0.52) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL10191057 0.79 FOLH1 (0.55) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL21008402 0.78 FOLH1 (0.55) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL21206321 0.74 PRSS1 (0.47) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL12715288 0.71 CA12 (0.57) CA12CA1CA2CA9HPSE
SCHEMBL5806320 0.69 FOLH1 (0.52) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL24766871 0.68 PRSS1 (0.47) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL13307352 0.68 SMN1; SMN2 (0.50) CA2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939626-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) 2011-05-10 — — US disclosed
US-20070037964-A1 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) 2007-02-15 — — 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-20070037964-A1 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 PTMS, PHOSPHO1, QPCT PRSS1 2595/4885PRSS2 3160/4885PRSS3 3367/4885

“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.