SCHEMBL6101780

SCHEMBL6101780

CCOCCC(=O)Oc1c2c(c(O)c3nccnc13)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
KMT2A Q03164 5/20 0.42
TSHR P16473 3/20 0.42
PKM P14618 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CMA1 P23946 1/20 0.41
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 5/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 3/20 0.36
PDE5A O76074 1/20 0.36
POLB P06746 1/20 0.35
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6101454 0.89 HPGD (0.42) HPGDKMT2ATSHRPKMSMN1; SMN2
SCHEMBL6099090 0.85 LIPG (0.35) KMT2ATSHRSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL5820682 0.84 HPGD (0.45) HPGDKMT2ATSHRPKMSMN1; SMN2
SCHEMBL5768586 0.82 HPGD (0.58) HPGDKMT2ATSHRPKMSMN1; SMN2
SCHEMBL6102070 0.80 HPGD (0.45) HPGDKMT2ATSHRPKMSMN1; SMN2
SCHEMBL6098751 0.78 HPGD (0.46) HPGDKMT2ATSHRPKMSMN1; SMN2
SCHEMBL6101296 0.78 PKM (0.47) HPGDKMT2ATSHRPKMSMN1; SMN2
SCHEMBL6101523 0.76 HPGD (0.44) HPGDKMT2ATSHRPKMSMN1; SMN2
SCHEMBL6101859 0.76 SMN1; SMN2 (0.44) HPGDKMT2ATSHRPKMSMN1; SMN2
SCHEMBL5769187 0.74 HPGD (0.56) HPGDKMT2ATSHRPKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 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 (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 HPGD 347/4885KMT2A 1121/4885TSHR 3033/4885

“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.