SCHEMBL7525980

SCHEMBL7525980

O=C1C=C(NC(=S)Nc2cccs2)CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 17/20 0.38
MAPT P10636 11/20 0.38
MEN1 O00255 10/20 0.38
KMT2A Q03164 10/20 0.38
HSD17B10 Q99714 9/20 0.38
ALDH1A1 P00352 6/20 0.38
HTT P42858 5/20 0.38
HPGD P15428 4/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 8/20 0.38
GFER P55789 4/20 0.38
TP53 P04637 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 5/20 0.36
LMNA P02545 3/20 0.36
NPC1 O15118 3/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL7521302 0.86 GAA (0.50) GAAMAPTMEN1KMT2AHSD17B10
SCHEMBL7525086 0.72 NPC1 (0.50) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL7520249 0.72 MEN1 (0.50) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL7524605 0.72 RAB9A (0.51) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL7526790 0.70 ALDH1A1 (0.40) MAPTKMT2AALDH1A1HTTHPGD
SCHEMBL7524552 0.70 HTT (0.39) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL7522838 0.69 STING1 (0.41) KMT2AALDH1A1LMNA
SCHEMBL7524654 0.68 QPCT (0.40) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL7523551 0.67 RAB9A (0.53) GAAMAPTMEN1KMT2AHSD17B10
SCHEMBL7524432 0.67 SMN1; SMN2 (0.47) GAAMAPTMEN1KMT2AALDH1A1

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-20020058694-A1 Ureido and thioureido derivatives of 4-amino-2(5H)-furanones and 4-amino-2(5H)-thiophenones as antitumor agents ROCHE DIAGNOSTICS GMBH 2002-05-16 US disclosed
US-6333346-B1 AMINOFURANONEUREAS OR THIOUREAS 4-AMINO-2(5H)-THIOPHENONES AS ANTITUMOR AGENTS ROCHE DIAGNOSTICS GMBH (DE) 2001-12-25 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-20020058694-A1 Ureido and thioureido derivatives of 4-amino-2(5H)-furanones and 4-amino-2(5H)-thiophenones as antitumor agents UTS2R, SRD5A2, SRD5A1 GAA 3891/4885MAPT 4634/4885MEN1 3390/4885

“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.