SCHEMBL4583480

SCHEMBL4583480

COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1SC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.38
AAK1 Q2M2I8 2/20 0.37
DGAT1 O75907 1/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA9 Q16790 5/20 0.35
CA12 O43570 2/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
LIPG Q9Y5X9 2/20 0.33
P4HB P07237 1/20 0.33
CSF1R P07333 1/20 0.33
LPL P06858 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
SCHEMBL20504693 0.89 CA1 (0.39) HIF1AAAK1DGAT1PRMT5WDR77
SCHEMBL20562513 0.86 HIF1A (0.39) HIF1ADGAT1PRMT5WDR77CA1
SCHEMBL25035049 0.81 HIF1A (0.43) HIF1ADGAT1CA1CA2CA9
SCHEMBL20504937 0.81 HIF1A (0.37) HIF1AAAK1DGAT1PRMT5WDR77
SCHEMBL4584559 0.81 ADRB3 (0.43) HIF1AAAK1CA1CA2CA9
SCHEMBL3188123 0.81 HIF1A (0.39) HIF1AAAK1DGAT1PRMT5WDR77
SCHEMBL2697552 0.79 CA1 (0.53) HIF1ADGAT1CA1CA2CA9
SCHEMBL209359 0.79 HIF1A (0.43) HIF1AAAK1DGAT1PRMT5WDR77
SCHEMBL31258763 0.79 CA1 (0.53) HIF1ADGAT1CA1CA2CA9
SCHEMBL28913511 0.79 AAK1 (0.39) HIF1AAAK1DGAT1CA1CA2

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
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 HIF1A 4320/4885AAK1 3231/4885DGAT1 1820/4885

“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.