SCHEMBL6483685

SCHEMBL6483685

COc1ccc(OCC(=O)O)c2c(=O)c3ccccc3sc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTPN1 P18031 7/20 0.49
PTPN2 P17706 1/20 0.49
CTSD P07339 1/20 0.46
NSD2 O96028 1/20 0.45
RAD52 P43351 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
FGFR1 P11362 2/20 0.43
EGFR P00533 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
SCHEMBL6491767 0.86 PTPN1 (0.50) HPGDNPC1CYP1A2CYP3A4MAPT
SCHEMBL8413609 0.84 PTPN1 (0.48) HPGDNPC1CYP1A2CYP3A4MAPT
SCHEMBL1614175 0.84 MAPT (0.64) HPGDNPC1CYP1A2CYP3A4MAPT
SCHEMBL30080217 0.83 PTPN1 (0.49) HPGDNPC1CYP1A2CYP3A4MAPT
SCHEMBL2127382 0.83 PTPN1 (0.49) HPGDNPC1CYP1A2CYP3A4MAPT
SCHEMBL2126462 0.83 PTPN1 (0.49) HPGDNPC1CYP1A2CYP3A4MAPT
SCHEMBL6491145 0.81 PTPN1 (0.47) HPGDNPC1CYP1A2CYP3A4MAPT
SCHEMBL4634025 0.81 HPGD (0.54) HPGDNPC1CYP1A2CYP3A4MAPT
SCHEMBL29897738 0.81 HPGD (0.54) HPGDNPC1CYP1A2CYP3A4MAPT
SCHEMBL21206935 0.79 MAPT (0.61) HPGDNPC1CYP1A2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960668-B2 Process for the production of substituted thioxanthones GREAT LAKES (UK) LIMITED (GB) 2005-11-01 US disclosed
US-6844343-B1 Nitric oxide synthase inhibitors; strokes VASOPHARM BIOTECH GMBH (DE) 2005-01-18 US disclosed
US-20040059133-A1 Process for the production of substituted thioxanthones GREAT LAKES (UK) LIMITED (GB) 2004-03-25 US disclosed
EP-1380580-A1 An improved process for the production of subsituted thioxanthones Great Lakes (UK) Limited (GB) 2004-01-14 EP 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-20040059133-A1 Process for the production of substituted thioxanthones TST, MPST, DHPS HPGD 418/4885NPC1 3660/4885CYP1A2 126/4885

“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.