SCHEMBL20535128

SCHEMBL20535128

O=C1NC(=S)S/C1=C\c1ccc(Cl)cc1Cl

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTP4A3 O75365 3/20 0.79
▸ CRHBP P24387 2/20 0.79
▸ CRHR2 Q13324 2/20 0.79
▸ IGF1R P08069 1/20 0.74
▸ PIM1 P11309 2/20 0.69
▸ PLA2G1B P04054 1/20 0.67
▸ ATG4B Q9Y4P1 1/20 0.67
▸ NAT1 P18440 4/20 0.64
▸ MYC P01106 1/20 0.64
▸ MAX P61244 1/20 0.64
▸ DNM1 Q05193 1/20 0.61
▸ CISD1 Q9NZ45 1/20 0.60
▸ GAA P10253 2/20 0.54
▸ MGAM O43451 1/20 0.54
▸ SI P14410 1/20 0.54
▸ MGAM2 Q2M2H8 1/20 0.54
▸ CA2 P00918 1/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ PSMD14 O00487 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52

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
SCHEMBL20535130 1.00 PTP4A3 (0.79) PTP4A3CRHBPCRHR2IGF1RPIM1
SCHEMBL12204299 1.00 PTP4A3 (0.79) PTP4A3CRHBPCRHR2IGF1RPIM1
SCHEMBL28965550 0.88 PTP4A3 (1.00) PTP4A3CRHBPCRHR2IGF1RPIM1
SCHEMBL18102957 0.86 PTP4A3 (0.71) PTP4A3CRHBPCRHR2IGF1RPIM1
SCHEMBL1249001 0.85 IGF1R (1.00) PTP4A3CRHBPCRHR2IGF1RPIM1
SCHEMBL30990562 0.85 IGF1R (1.00) PTP4A3CRHBPCRHR2IGF1RPIM1
SCHEMBL1249000 0.85 IGF1R (1.00) PTP4A3CRHBPCRHR2IGF1RPIM1
SCHEMBL13500140 0.83 PTP4A3 (0.67) PTP4A3CRHBPCRHR2IGF1RPIM1
SCHEMBL18102858 0.83 PTP4A3 (0.75) PTP4A3CRHBPCRHR2PIM1PLA2G1B
SCHEMBL14899471 0.83 PTP4A3 (0.75) PTP4A3CRHBPCRHR2IGF1RPIM1

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-20200068890-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY LA TROBE UNIVERSITY (AU) 2020-03-05 — — US disclosed
EP-3609494-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY La Trobe University (AU) 2020-02-19 — — EP disclosed
WO-2018187845-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY LA TROBE UNIVERSITY (AU) 2018-10-18 — — 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-20200068890-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY DDC, ODC1, DDT PTP4A3 4348/4885CRHBP 3856/4885CRHR2 4565/4885

“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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