SCHEMBL3017248

SCHEMBL3017248

COC(=O)c1cc(I)cn1S(=O)(=O)C(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP2C9 P11712 3/20 0.39
▸ POLB P06746 2/20 0.38
▸ GAA P10253 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TCF4 P15884 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL3360534 0.82 CYP2C9 (0.41) TDP1KDM4EMAPTL3MBTL1LMNA
SCHEMBL3030889 0.77 HIF1A (0.37) TDP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL27689436 0.76 L3MBTL1 (0.33) TDP1MAPTL3MBTL1LMNACYP2C9
SCHEMBL10125216 0.69 POLB (0.45) TDP1KDM4EMAPTL3MBTL1LMNA
SCHEMBL28524426 0.67 TSHR (0.49) MAPTL3MBTL1POLBNPSR1MEN1
SCHEMBL17973534 0.67 CYP2C9 (0.42) TDP1KDM4EMAPTL3MBTL1LMNA
SCHEMBL7709312 0.66 CYP1A2 (0.46) ALDH1A1KDM4EL3MBTL1LMNAPOLB
SCHEMBL13302156 0.66 CYP2C9 (0.49) TDP1ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL2184458 0.66 CA1 (0.43) TDP1ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL30877445 0.66 CYP2C9 (0.41) ALDH1A1KDM4EMAPTL3MBTL1LMNA

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 TDP1 579/4885ALDH1A1 1686/4885KDM4E 1790/4885

“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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