SCHEMBL5794622

SCHEMBL5794622

O=C1c2c(c(O)c3[nH]cnc3c2O)C(=O)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
KMT2A Q03164 2/20 0.54
PKM P14618 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 3/20 0.52
CMA1 P23946 1/20 0.50
SCN9A Q15858 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
ALOX15 P16050 2/20 0.41
USP2 O75604 2/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH3A1 P30838 1/20 0.40
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL5768586 0.84 HPGD (0.58) TSHRKMT2APKMSMN1; SMN2HPGD
SCHEMBL6099226 0.80 CMA1 (0.58) TSHRKMT2APKMSMN1; SMN2HPGD
SCHEMBL6101379 0.79 TSHR (0.51) TSHRKMT2APKMSMN1; SMN2HPGD
SCHEMBL6099645 0.79 HPGD (0.60) TSHRKMT2APKMSMN1; SMN2HPGD
SCHEMBL4158100 0.78 CYP1A2 (0.45) KMT2AHPGDALDH1A1LMNAL3MBTL1
SCHEMBL6102401 0.78 TSHR (0.47) TSHRKMT2APKMSMN1; SMN2HPGD
SCHEMBL6101896 0.77 TSHR (0.52) TSHRKMT2APKMSMN1; SMN2HPGD
SCHEMBL6101774 0.77 TSHR (0.51) TSHRKMT2APKMSMN1; SMN2HPGD
SCHEMBL6101738 0.76 HPGD (0.57) TSHRKMT2APKMSMN1; SMN2HPGD
SCHEMBL5769187 0.76 HPGD (0.56) TSHRKMT2APKMSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 US disclosed
EP-1625130-A2 HIV INTEGRASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2006-02-15 EP disclosed
WO-2004096807-A2 HIV INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-11-11 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 (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-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 TSHR 3033/4885KMT2A 1121/4885PKM 2808/4885

“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.