SCHEMBL14795037

SCHEMBL14795037

O=C(CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.62
▸ F2 P00734 1/20 0.62
▸ PRSS1 P07477 1/20 0.62
▸ PRSS2 P07478 1/20 0.62
▸ PRSS3 P35030 1/20 0.62
▸ TPSAB1 Q15661 1/20 0.62
▸ FOLH1 Q04609 2/20 0.61
▸ PKM P14618 3/20 0.60
▸ PLCD1 P51178 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ABL1 P00519 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ IDE P14735 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ RIN1 Q13671 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ CA12 O43570 2/20 0.55
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55

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
SCHEMBL13185104 0.97 TDP1 (0.58) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL26902897 0.96 TDP1 (0.62) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL23334534 0.92 TDP1 (0.68) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL1300276 0.92 TDP1 (0.68) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL16123471 0.92 TDP1 (0.68) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL15672766 0.91 F2 (0.66) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL18972051 0.91 F2 (0.66) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL22507546 0.91 F2 (0.66) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL23652847 0.91 F2 (0.63) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL19176506 0.91 F2 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072469-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-21 — — 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-20130072469-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TDP1 2415/4885F2 625/4885PRSS1 2473/4885

“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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