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SCHEMBL4664880

SCHEMBL4664880

COc1ccc(CC(=O)C2=C(O)C(CC(C)SC)OC2=O)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.37
▸ HTT P42858 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ GAA P10253 5/20 0.37
▸ HPGD P15428 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CACNA1G O43497 1/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ CACNA1I Q9P0X4 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34

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
SCHEMBL4662924 0.93 LMNA (0.39) LMNAHTTNPC1GAAHPGD
SCHEMBL4664886 0.84 HSD17B10 (0.45) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL4663312 0.83 CDC25B (0.37) HTTMAPTMEN1KMT2AL3MBTL1
SCHEMBL4665036 0.82 ALOX5 (0.43) MAPTMEN1KMT2AL3MBTL1TDP1
SCHEMBL4663294 0.82 KMT2A (0.40) LMNAHTTNPC1HPGDMAPT
SCHEMBL4664736 0.81 ALDH1A1 (0.42) LMNAHTTNPC1MAPTKMT2A
SCHEMBL4666574 0.80 PTPN1 (0.38) LMNAMAPTMEN1KMT2AL3MBTL1
SCHEMBL4664804 0.79 CDC25B (0.44) LMNANPC1HPGDMAPTMEN1
SCHEMBL4664876 0.79 TSHR (0.41) LMNAHTTNPC1MEN1KMT2A
SCHEMBL4664653 0.74 HSD17B10 (0.49) LMNAHTTMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 — — US claimed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 — — EP claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 — — WO claimed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 — — US claimed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 — — US disclosed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 — — EP disclosed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 — — WO disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 — — 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 (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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 LMNA 1625/4885HTT 81/4885NPC1 1709/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 LMNA 1625/4885HTT 81/4885NPC1 1709/4885

“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.