SCHEMBL13568010

SCHEMBL13568010

CC(C)N(CC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.34
▸ TSHR P16473 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CTSK P43235 3/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GPR88 Q9GZN0 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL3827129 0.90 MEN1 (0.35) TSHRCYP3A4HTTSMN1; SMN2KDM4E
SCHEMBL13568006 0.83 AAK1 (0.32) AAK1TSHRNPSR1ALDH1A1GPR88
SCHEMBL13568005 0.82 AAK1 (0.34) AAK1NPSR1CTSKCTSSALDH1A1
SCHEMBL13568011 0.82 AAK1 (0.34) AAK1TSHRCTSKMMP13
SCHEMBL13567943 0.81 L3MBTL1 (0.37) TSHRL3MBTL1NPSR1CYP3A4HTT
SCHEMBL12324263 0.81 GPR88 (0.36) AAK1L3MBTL1CTSKCTSSCYP3A4
SCHEMBL7155286 0.80 CYP2D6 (0.37) L3MBTL1CYP3A4HTTSMN1; SMN2KDM4E
SCHEMBL8122701 0.77 GAA (0.36) TSHRCYP3A4HTTSMN1; SMN2ALDH1A1
SCHEMBL9523633 0.77 GAA (0.36) TSHRCYP3A4HTTSMN1; SMN2ALDH1A1
SCHEMBL8122702 0.77 GAA (0.36) TSHRCYP3A4HTTSMN1; SMN2ALDH1A1

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-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 — — 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-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 AAK1 1072/4885TSHR 2591/4885L3MBTL1 299/4885

“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.

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