SCHEMBL3030889

SCHEMBL3030889

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1S(=O)(=O)C(=O)c1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CA1 P00915 6/20 0.36
▸ CA2 P00918 6/20 0.36
▸ CA9 Q16790 6/20 0.36
▸ CYP2C9 P11712 3/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ THRB P10828 1/20 0.32

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
SCHEMBL4441787 0.85 CYP2C9 (0.41) HIF1ACA1CA2CA9CYP2C9
SCHEMBL15866395 0.81 CA1 (0.36) HIF1ACA1CA2CA9CA12
SCHEMBL4798623 0.78 RAPGEF4 (0.39) HIF1ATDP1CA1CA2CA9
SCHEMBL3017248 0.77 TDP1 (0.44) TDP1CA1CA2CA9CYP2C9
SCHEMBL19190535 0.76 CA1 (0.33) HIF1ACA1CA2CA9CA12
SCHEMBL21386603 0.73 USP30 (0.31) HIF1ACA1CA2CA9CA12
SCHEMBL14081665 0.72 CYP1A2 (0.39) HIF1ACA1CA2CA9POLB
SCHEMBL16207740 0.72 CA1 (0.37) HIF1ACA1CA2CA9L3MBTL1
SCHEMBL878145 0.69 F11 (0.34) HIF1ACA1CA2CA9CA12
SCHEMBL20561771 0.69 HIF1A (0.37) HIF1ACA1CA2CA9CA12

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-20100204187-A1 Purine Derivatives PALAU PHARMA, S.A. (ES) 2010-08-12 — — 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-20100204187-A1 Purine Derivatives JAK3, JAK1, JAK2 HIF1A 2361/4885TDP1 579/4885CA1 4720/4885

“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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