SCHEMBL5893060

SCHEMBL5893060

CCCCCNC(=O)[C@H](Cc1ccc(N2CC(=O)NS2(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(OC)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.70
CHRNA1 P02708 4/20 0.46
CHRNG P07510 4/20 0.46
CHRNB1 P11230 4/20 0.46
CHRND Q07001 4/20 0.46
KLKB1 P03952 1/20 0.44
GRIA1 P42261 1/20 0.44
PLG P00747 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL1731562 0.88 PTPN1 (0.52) PTPN1KLKB1CHRNB2CHRNB4CHRNA3
SCHEMBL2184299 0.88 PTPN1 (0.52) PTPN1KLKB1CHRNB2CHRNB4CHRNA3
SCHEMBL1731564 0.88 PTPN1 (0.52) PTPN1KLKB1CHRNB2CHRNB4CHRNA3
SCHEMBL6282167 0.85 PTPN1 (0.62) PTPN1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL5893349 0.85 PTPN1 (0.57) PTPN1
SCHEMBL1732891 0.82 PTPN1 (0.50) PTPN1KLKB1CHRNB2CHRNB4CHRNA3
SCHEMBL2186575 0.82 PTPN1 (0.50) PTPN1KLKB1CHRNB2CHRNB4CHRNA3
SCHEMBL1732660 0.82 PTPN1 (0.50) PTPN1KLKB1CHRNB2CHRNB4CHRNA3
SCHEMBL5893008 0.82 PTPN1 (1.00) PTPN1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL6365920 0.82 PTPN1 (1.00) PTPN1CHRNA1CHRNGCHRNB1CHRND

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-7141596-B2 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION (US) 2006-11-28 US disclosed
US-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION 2005-12-08 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-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules PPP3CA, PPP5C, PPM1A PTPN1 133/4885CHRNA1 4619/4885CHRNG 4123/4885

“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.