SCHEMBL13629628

SCHEMBL13629628

Nc1csc(-c2ccc(CO)nc2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.48
PI4KA P42356 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
PRMT1 Q99873 3/20 0.38
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
S1PR1 P21453 1/20 0.34
GFER P55789 1/20 0.34
CYP19A1 P11511 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SREBF2 Q12772 1/20 0.34
LMNA P02545 1/20 0.33
NUDT1 P36639 1/20 0.33
KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL3960593 0.84 CYP19A1 (0.37) PIK3CAPI4KAPI4KBPRMT1CDC25A
SCHEMBL13629649 0.84 SREBF2 (0.42) PRMT1CDC25ACDC25BGFERCYP19A1
SCHEMBL3647330 0.82 CDC25A (0.38) PIK3CAPI4KAPI4KBPRMT1CDC25A
SCHEMBL13615799 0.81 PDE10A (0.38) PIK3CAPI4KAPI4KBPRMT1CDC25A
SCHEMBL13057201 0.81 PIK3CD (0.51) PIK3CAPI4KAPI4KBPRMT1CDC25A
SCHEMBL20390797 0.80 MEN1 (0.50) PIK3CACDC25ACDC25BCYP19A1MEN1
SCHEMBL20390796 0.77 CDC25A (0.40) PRMT1CDC25ACDC25BCYP19A1MEN1
SCHEMBL4308509 0.76 CYP2E1 (0.46) PIK3CAPI4KAPI4KBCDC25ACDC25B
SCHEMBL4308505 0.76 CDC25A (0.39) PRMT1CDC25ACDC25BCYP19A1MEN1
SCHEMBL12680158 0.76 CDC25A (0.34) PIK3CAPI4KAPI4KBPRMT1CDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203435-B1 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARM INC (US) 2018-07-18 EP disclosed
US-20090281293-A1 PROCESSES FOR THE PREPARATION OF 2 FLUORO 6-11 BICYCLIC ERYTHROMYCIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-11-12 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-20090281293-A1 PROCESSES FOR THE PREPARATION OF 2 FLUORO 6-11 BICYCLIC ERYTHROMYCIN DERIVATIVES CYP2F1, CYP2B6, CYP4F11 PIK3CA 2823/4885PI4KA 3579/4885PI4KB 3623/4885

“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.