SCHEMBL16160290

SCHEMBL16160290

O=C(NCc1cncs1)c1[nH]c(-c2cccs2)nc(=O)c1O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 13/20 0.48
▸ FEN1 P39748 13/20 0.48
▸ ERCC4 Q92889 13/20 0.48
▸ DNASE1 P24855 3/20 0.46
▸ PBK Q96KB5 1/20 0.41

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
SCHEMBL5122141 0.75 SMN1; SMN2 (0.48) ERCC1FEN1ERCC4DNASE1
SCHEMBL1568170 0.66 L3MBTL1 (0.53) —
SCHEMBL31659577 0.62 THRB (0.60) —
SCHEMBL1581077 0.62 PBK (0.66) PBK
SCHEMBL5123552 0.62 SMN1; SMN2 (0.61) ERCC1FEN1ERCC4DNASE1
SCHEMBL22027680 0.62 ERCC1 (0.68) ERCC1FEN1ERCC4DNASE1
SCHEMBL2313512 0.61 PBK (0.67) PBK
SCHEMBL13947082 0.61 SMN1; SMN2 (0.52) —
SCHEMBL6656091 0.61 ERCC1 (1.00) ERCC1FEN1ERCC4DNASE1
SCHEMBL13167386 0.60 NPSR1 (0.47) —

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-9150527-B2 Metalloenzyme inhibitor compounds INNOCRIN PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2014-10-09 — — US disclosed
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2014-10-09 — — 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-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ERCC1 2919/4885FEN1 692/4885ERCC4 1345/4885

“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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