SCHEMBL7609753

SCHEMBL7609753

COC(=O)c1ccc(CC=S)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.59
CYP4A11 Q02928 2/20 0.54
CYP4F2 P78329 1/20 0.53
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 2/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL223801 0.85 LOXL2 (0.63) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL10587878 0.83 LOXL2 (0.61) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL7607119 0.82 CYP4A11 (0.60) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL1427802 0.81 LOXL2 (0.59) LOXL2CYP4A11CYP4F2CA1CA2
Bromide SCHEMBL28224566 0.80 LOXL2 (0.58) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL9133770 0.80 LOXL2 (0.62) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL9772795 0.79 LOXL2 (0.61) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL8180716 0.79 LOXL2 (0.56) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL8180714 0.79 LOXL2 (0.56) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL9650066 0.79 LOXL2 (0.66) LOXL2CYP4A11CYP4F2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020173515-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds VARNEY MICHAEL D (US) 2002-11-21 US disclosed
US-6323210-B2 TRANSFERASE INHIBITOR AGOURON PHARMACEUTICALS, INC. 2001-11-27 US disclosed
US-20010018443-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds VARNEY MICHAEL D (US) 2001-08-30 US disclosed
US-6207670-B1 USE TO INHIBIT GROWTH AND PROLIFERATION OF CELLS OF HIGHER ORGANISMS AND MICROORGANISMS SUCH AS BACTERIA, YEAST AND FUNGI AGOURON PHARMACEUTICALS, INC. 2001-03-27 US disclosed
EP-0674516-B1 ANTIPROLIFERATIVE SUBSTITUTED 5-THIAPYRIMIDINONE AND 5-SELENOPYRIMIDINONE COMPOUNDS AGOURON PHARMA (US) 2000-02-02 EP disclosed
US-5945427-A INHIBIT GROWTH AND PROLIFERATION OF CELLS OF HIGHER ORGANISMS AND MICRORGANISMS SUCH AS FUNGI, BACTERIA AND YEASTS; TREATMENT FOR TUMORS, INFLAMMATION, PSORIASIS; IMMUNOSUPPRESSIVE ACTIVITY AGOURON PHARMACEUTICALS, INC. (US) 1999-08-31 US disclosed
US-5739141-A Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds AGOURON PHARMACEUTICALS, INC. (US) 1998-04-14 US disclosed
US-5726312-A Methods for preparing antiproliferative 5-substituted pyrimidone compounds AGOURON PHARMACEUTICALS, INC. (US) 1998-03-10 US disclosed
EP-0674516-A4 1995-10-25 EP disclosed
EP-0674516-A1 ANTIPROLIFERATIVE SUBSTITUTED 5-THIAPYRIMIDINONE AND 5-SELENOPYRIMIDINONE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1995-10-04 EP disclosed
WO-1994013295-A1 ANTIPROLIFERATIVE SUBSTITUTED 5-THIAPYRIMIDINONE AND 5-SELENOPYRIMIDINONE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1994-06-23 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 (2 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-20010018443-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds GART, GARS1, NUDT1 LOXL2 3833/4885CYP4A11 4252/4885CYP4F2 1067/4885
US-20020173515-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds GART, GARS1, NUDT1 LOXL2 3833/4885CYP4A11 4252/4885CYP4F2 1067/4885

“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.