SCHEMBL18493700

SCHEMBL18493700

CCS(=O)(=O)NCCNC(=O)c1ccc(-c2ccccc2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.45
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ USP2 O75604 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ GHSR Q92847 1/20 0.36
▸ PIN1 Q13526 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
SCHEMBL20266985 0.82 PTPN1 (0.52) PTPN1LMNAUSP2HPGDHSD17B10
SCHEMBL20267071 0.78 PTPN1 (0.51) PTPN1USP2MEN1KMT2AHPGD
SCHEMBL17210264 0.78 PTPN1 (0.43) PTPN1USP2MEN1KMT2AHPGD
SCHEMBL20287868 0.76 BCHE (0.47) PTPN1DRD2MEN1KMT2A
SCHEMBL19403963 0.76 F2 (0.41) PTPN1LMNAMEN1KMT2AHPGD
SCHEMBL22307347 0.75 PTPN1 (0.54) PTPN1RAB9AUSP2HPGDHSD17B10
SCHEMBL7185412 0.74 PTPN1 (0.50) PTPN1RAB9AUSP2HPGDHSD17B10
SCHEMBL22040413 0.71 PTPN1 (0.47) PTPN1LMNAUSP2MEN1KMT2A
SCHEMBL22260620 0.69 GRIN1 (0.35) —
SCHEMBL17267000 0.68 PTPN1 (0.79) PTPN1LMNARAB9AMEN1KMT2A

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 1 patent. 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

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 3064/4885LMNA 4276/4885RAB9A 251/4885

“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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