SCHEMBL7608758

SCHEMBL7608758

COC(=O)c1ccc(SCCS)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 2/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
CYP4A11 Q02928 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL4414189 0.84 MAPT (0.55) MAPTALDH1A1KMT2ARAB9ACA1
SCHEMBL7611290 0.84 MAPT (0.53) MAPTALDH1A1KMT2ARAB9ACA1
SCHEMBL6617469 0.83 MAPT (0.51) MAPTALDH1A1KMT2ARAB9ACA1
SCHEMBL10366613 0.83 ALDH1A1 (0.52) MAPTALDH1A1KMT2ARAB9ACA1
SCHEMBL25267950 0.81 MAPT (0.53) MAPTALDH1A1KMT2ARAB9ACA1
SCHEMBL9673198 0.81 CYP4A11 (0.58) MAPTALDH1A1KMT2ARAB9ACA1
SCHEMBL25251142 0.81 MAPT (0.53) MAPTALDH1A1KMT2ARAB9ACA1
Hydrochloric Acid SCHEMBL443786 0.81 LOXL2 (0.54) MAPTALDH1A1KMT2ARAB9ACA1
SCHEMBL9670566 0.81 THRA (0.53) MAPTALDH1A1KMT2ARAB9ACA1
SCHEMBL7050165 0.80 RAB9A (0.54) MAPTALDH1A1KMT2ARAB9ACA1

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 MAPT 2714/4885ALDH1A1 250/4885KMT2A 909/4885
US-20020173515-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds GART, GARS1, NUDT1 MAPT 2714/4885ALDH1A1 250/4885KMT2A 909/4885

“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.