SCHEMBL329020

SCHEMBL329020

CCCC(NC(=O)O)C(=O)N(C)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
FAAH O00519 1/20 0.33
TGFBR1 P36897 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL4783334 1.00 JAK3 (0.39) JAK3BTKCTSSCTSKFAAH
SCHEMBL4819025 0.90 JAK3 (0.42) JAK3BTKCTSSCTSKHDAC2
SCHEMBL4819038 0.90 JAK3 (0.42) JAK3BTKCTSSCTSKHDAC2
SCHEMBL838395 0.86 JAK3 (0.35) JAK3BTKCTSSCTSKFAAH
SCHEMBL14796619 0.86 JAK3 (0.35) JAK3BTKCTSSCTSKFAAH
SCHEMBL1808081 0.82 TGFBR1 (0.42) JAK3BTKFAAHTGFBR1MME
SCHEMBL18989359 0.82 TGFBR1 (0.42) JAK3BTKFAAHTGFBR1MME
SCHEMBL16165702 0.82 USP2 (0.40) CTSSCTSKLMNA
SCHEMBL25360136 0.81 JAK3 (0.38) JAK3BTKCTSSFAAHTGFBR1
SCHEMBL25360128 0.81 JAK3 (0.38) JAK3BTKCTSSFAAHTGFBR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131359-A1 PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-23 US disclosed
US-8383858-B2 Processes and intermediates for preparing steric compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-26 US disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
EP-2407448-A2 Processes and intermediates for preparing steric compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-18 EP disclosed
US-20100298568-A1 Processes and intermediates for preparing steric compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-25 US disclosed
US-20070244334-A1 Processes and intermediates for preparing steric compounds VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 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 (3 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-20100298568-A1 Processes and intermediates for preparing steric compounds REV1, HSD11B1, CYP11B1 JAK3 3989/4885BTK 4523/4885CTSS 1351/4885
US-20070244334-A1 Processes and intermediates for preparing steric compounds REV1, HSD11B1, CYP11B1 JAK3 3989/4885BTK 4523/4885CTSS 1351/4885
US-20130131359-A1 PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS REV1, HSD11B1, CYP11B1 JAK3 3989/4885BTK 4523/4885CTSS 1351/4885

“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.