SCHEMBL19917573

SCHEMBL19917573

CC(C)CN(C)CC(=O)NCCC(C)(C)OCCC(C)(C)OCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.51
▸ F2 P00734 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ PRSS2 P07478 1/20 0.48
▸ PRSS3 P35030 1/20 0.48
▸ TPSAB1 Q15661 1/20 0.48
▸ FOLH1 Q04609 3/20 0.48
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CAPN1 P07384 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ HSP90AB1 P08238 1/20 0.45
▸ CNR1 P21554 2/20 0.45
▸ PLCD1 P51178 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
SCHEMBL19917571 0.92 F2 (0.52) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL23072576 0.90 F2 (0.51) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL18612885 0.86 TDP1 (0.55) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL21524659 0.85 TDP1 (0.58) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL26585156 0.83 TDP1 (0.56) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL21524702 0.81 TDP1 (0.56) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL18736958 0.81 TDP1 (0.61) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL23571711 0.81 TDP1 (0.61) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL17662507 0.81 TDP1 (0.61) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL19772947 0.81 TDP1 (0.61) TDP1F2PRSS1PRSS2PRSS3

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 TDP1 2646/4885F2 3304/4885PRSS1 4369/4885
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 TDP1 2646/4885F2 3304/4885PRSS1 4369/4885

“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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