SCHEMBL4847747

SCHEMBL4847747

CC(C)(C)c1nc(CP(=O)(O)O)cs1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.43
PGK2 P07205 3/20 0.43
HRH1 P35367 1/20 0.40
KLKB1 P03952 1/20 0.35
FDPS P14324 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3556536 0.77 PGK1 (0.47) PGK1PGK2ALDH1A1SMN1; SMN2
SCHEMBL10223189 0.76 HRH1 (0.44) HRH1KLKB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4848422 0.74 PGK1 (0.44) PGK1PGK2FDPS
SCHEMBL11926965 0.74 HRH1 (0.45) HRH1KLKB1
SCHEMBL25426497 0.73 PGK1 (0.47) PGK1PGK2SMN1; SMN2
SCHEMBL7079640 0.73 HRH1 (0.42) HRH1KLKB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4849187 0.72 SLC6A3 (0.44) PGK1PGK2HRH1FDPSALDH1A1
SCHEMBL20536448 0.72 PGK1 (0.43) PGK1PGK2FDPSSMN1; SMN2
SCHEMBL12926881 0.72 HRH1 (0.44) HRH1KLKB1
SCHEMBL3760695 0.72 HRH1 (0.44) HRH1ALDH1A1HPGDSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 PGK1 3240/4885PGK2 3966/4885HRH1 1216/4885

“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.