SCHEMBL17210264

SCHEMBL17210264

CN(CCNC(=O)c1ccc(-c2ccccc2)[nH]1)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ EGLN1 Q9GZT9 3/20 0.41
▸ GHSR Q92847 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ACKR3 P25106 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MMP1 P03956 2/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MMP14 P50281 2/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL18493700 0.78 PTPN1 (0.45) PTPN1HTR2CGHSRKDM4EUSP2
SCHEMBL20266985 0.77 PTPN1 (0.52) PTPN1KDM4EUSP2HPGDHSD17B10
SCHEMBL20267071 0.76 PTPN1 (0.51) PTPN1KDM4EUSP2HPGDHSD17B10
SCHEMBL22307347 0.73 PTPN1 (0.54) PTPN1GHSRSMN1; SMN2KDM4EUSP2
SCHEMBL7185412 0.72 PTPN1 (0.50) PTPN1GHSRSMN1; SMN2KDM4EUSP2
SCHEMBL20287868 0.72 BCHE (0.47) PTPN1MEN1KMT2A
SCHEMBL22040413 0.69 PTPN1 (0.47) PTPN1SMN1; SMN2KDM4EUSP2HPGD
SCHEMBL19403963 0.69 F2 (0.41) PTPN1GHSRKDM4EHPGDHSD17B10
SCHEMBL21798198 0.67 MEN1 (0.38) EGLN1SMN1; SMN2MEN1KMT2AMMP1
SCHEMBL5254651 0.67 LMNA (0.57) SMN1; SMN2MEN1KMT2AMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044150-A1 IDENTIFICATION OF COMPOUNDS WHICH INHIBIT ATG8-ATG3 PROTEIN-PROTEIN INTERACTION AND THEIR USE AS ANTIPARASITICAL AGENTS UNIV JOHNS HOPKINS (US) 2017-02-16 — — US disclosed
US-20170044150-A1 IDENTIFICATION OF COMPOUNDS WHICH INHIBIT ATG8-ATG3 PROTEIN-PROTEIN INTERACTION AND THEIR USE AS ANTIPARASITICAL AGENTS UNIV JOHNS HOPKINS (US) 2017-02-16 — — US disclosed
WO-2015164850-A1 IDENTIFICATION OF COMPOUNDS WHICH INHIBIT ATG8-ATG3 PROTEIN-PROTEIN INTERACTION AND THEIR USE AS ANTIPARASITICAL AGENTS THE JOHNS HOPKINS UNIVERSITY (US) 2015-10-29 — — WO 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-20170044150-A1 IDENTIFICATION OF COMPOUNDS WHICH INHIBIT ATG8-ATG3 PROTEIN-PROTEIN INTERACTION AND THEIR USE AS ANTIPARASITICAL AGENTS ATG7, ATG13, ATG4A PTPN1 3064/4885HTR2C 2737/4885EGLN1 1241/4885

“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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