SCHEMBL14563129

SCHEMBL14563129

CN(CCOCCOCCOCCC(=O)Nc1cc(C(=O)Oc2c(F)c(F)cc(F)c2F)cc(C(=O)Oc2c(F)c(F)cc(F)c2F)c1)C(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ TPSAB1 Q15661 1/20 0.45
▸ PKM P14618 3/20 0.44
▸ CA12 O43570 3/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ TDP1 Q9NUW8 4/20 0.43
▸ PTPRF P10586 2/20 0.41
▸ PTPN2 P17706 2/20 0.41
▸ PTPN1 P18031 2/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ GBA1 P04062 1/20 0.41
▸ FOLH1 Q04609 3/20 0.40
▸ BTK Q06187 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ABL1 P00519 1/20 0.40

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
SCHEMBL14563106 0.88 PKM (0.49) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL14563108 0.86 TDP1 (0.50) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL14562949 0.82 F2 (0.47) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL5903549 0.82 TDP1 (0.48) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL14563088 0.79 F2 (0.58) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL13790958 0.77 TDP1 (0.56) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL20068708 0.77 TDP1 (0.65) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL5903487 0.77 TDP1 (0.65) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL29392244 0.75 PRSS1 (0.64) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL14562980 0.74 F2 (0.46) F2PRSS1PRSS2PRSS3TPSAB1

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-8951499-B2 Trifunctional reagent for conjugation to a biomolecule UNIVERSITY OF WASHINGTON (US) 2015-02-10 — — US disclosed
US-8951499-B2 Trifunctional reagent for conjugation to a biomolecule UNIVERSITY OF WASHINGTON (US) 2015-02-10 — — US disclosed
US-20070071673-A1 Trifunctional reagent for conjugation to a biomolecule MITRA MEDICAL TECHNOLOGY AB (SE) 2007-03-29 — — US disclosed
US-20070071673-A1 Trifunctional reagent for conjugation to a biomolecule MITRA MEDICAL TECHNOLOGY AB (SE) 2007-03-29 — — 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-20070071673-A1 Trifunctional reagent for conjugation to a biomolecule UACA, TNFSF11, CD40 F2 103/4885PRSS1 4700/4885PRSS2 4181/4885

“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.

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