SCHEMBL21488872

SCHEMBL21488872

CN(C)S(=O)(=O)CCCC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
SOAT1 P35610 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR1 P21554 1/20 0.31

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
SCHEMBL4277339 0.88 F2 (0.34) F2PRSS1PRSS2PRSS3
SCHEMBL3466455 0.73 ALDH1A1 (0.38) F2PRSS1PRSS2PRSS3TP53
SCHEMBL1864288 0.73 APP (0.46) TP53CYP2C19
SCHEMBL8314518 0.73 ATR (0.35)
SCHEMBL6014 0.73 TP53 (0.35) MEN1FAAHTP53CYP1A2CYP3A4
SCHEMBL23804917 0.73 F2 (0.33) F2PRSS1PRSS2PRSS3CYP2C19
SCHEMBL9883956 0.71 LMNA (0.42) MEN1FAAHTP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5498553 0.71 ALDH1A1 (0.36) F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8710297 0.71 TP53 (0.34) MEN1FAAHTP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4313342 0.71 APP (0.44) TP53CYP2C19

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-10787442-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-09-29 US disclosed
US-20190322652-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-10-24 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-10787442-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 F2 3638/4885PRSS1 1362/4885PRSS2 2041/4885
US-20190322652-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 F2 3638/4885PRSS1 1362/4885PRSS2 2041/4885

“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.