SCHEMBL19917580

SCHEMBL19917580

NC(=O)CCOCCOCCOCCOCCNC(=O)CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.63
PRSS2 P07478 2/20 0.63
PRSS3 P35030 2/20 0.63
TPSAB1 Q15661 2/20 0.63
F2 P00734 1/20 0.63
FOLH1 Q04609 5/20 0.61
PKM P14618 3/20 0.61
TDP1 Q9NUW8 5/20 0.58
PLG P00747 1/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
HSP90AB1 P08238 1/20 0.52
NOXO1 Q8NFA2 1/20 0.51
MEN1 O00255 1/20 0.51
ABL1 P00519 1/20 0.51
LMNA P02545 1/20 0.51
IDE P14735 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL31135780 0.97 PRSS1 (0.67) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL9979905 0.97 PRSS1 (0.67) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL24425712 0.97 PRSS1 (0.67) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL4922024 0.92 TDP1 (0.64) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL19751698 0.91 F2 (0.73) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL15216220 0.91 F2 (0.73) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL19017236 0.91 F2 (0.73) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL4968230 0.91 F2 (0.73) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL15832044 0.90 PKM (0.69) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL21531215 0.88 FOLH1 (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2019-08-13 US disclosed
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2018-03-01 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 (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-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 PRSS1 4369/4885PRSS2 4492/4885PRSS3 4696/4885
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 PRSS1 4369/4885PRSS2 4492/4885PRSS3 4696/4885

“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.