SCHEMBL6077869

SCHEMBL6077869

CCC(CCNCC(=O)OC(C)(C)C)SC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.41
BTK Q06187 1/20 0.41
PTPRC P08575 2/20 0.39
PRSS1 P07477 2/20 0.35
CTSG P08311 2/20 0.35
CTRB1 P17538 2/20 0.35
CMA1 P23946 2/20 0.35
AAK1 Q2M2I8 1/20 0.35
CTSK P43235 2/20 0.35
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CASR P41180 1/20 0.34
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33

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
SCHEMBL2436363 0.76 CNR1 (0.50) PTPRCL3MBTL1CASR
SCHEMBL23506470 0.74 SLC6A2 (0.42) PRSS1CTSGCTRB1CMA1SLC6A3
SCHEMBL4181717 0.73 MAPT (0.50) JAK3BTKPTPRCL3MBTL1TDP1
SCHEMBL6332358 0.72 MEN1 (0.51) JAK3BTKCTSKTDP1SYK
SCHEMBL10939921 0.71 PTPRC (0.45) PTPRCPRSS1CTSGCTRB1CMA1
SCHEMBL948952 0.70 NPC1 (0.49) CTSK
SCHEMBL6387163 0.69 TDP1 (0.54) JAK3BTKPTPRCHTR1ACYP2D6
Hydrochloric Acid SCHEMBL10493771 0.69 NPC1 (0.48) CTSKCYP2D6
SCHEMBL5189123 0.69 PTPRC (0.41) PTPRCL3MBTL1
SCHEMBL6332355 0.68 GPR88 (0.42) JAK3BTKPRSS1CTSGCTRB1

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-7119109-B2 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2006-10-10 US disclosed
US-20040220234-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2004-11-04 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-20040220234-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase NOS3, NOS2, NOS1 JAK3 715/4885BTK 1000/4885PTPRC 2376/4885

“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.