SCHEMBL29986252

SCHEMBL29986252

CCN(CC)C(=O)c1cccc(S(=O)(=O)Nc2nnc(Cl)cc2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.47
▸ HSP90AA1 P07900 2/20 0.43
▸ HSP90AB1 P08238 2/20 0.43
▸ HPGD P15428 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ UBE2N P61088 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PTK2B Q14289 1/20 0.39
▸ LIMK1 P53667 1/20 0.39
▸ LIMK2 P53671 1/20 0.39
▸ PGR P06401 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL16235127 1.00 HSD11B1 (0.47) HSD11B1HSP90AA1HSP90AB1HPGDTDP1
SCHEMBL16235419 0.83 KDM4E (0.56) CA1CA2KDM4ETSHRPTK2B
SCHEMBL16235284 0.83 HSP90AA1 (0.52) HSD11B1HSP90AA1HSP90AB1HPGDALDH1A1
SCHEMBL16235417 0.82 SLC40A1 (0.51) CA1CA2ALDH1A1KDM4ETSHR
SCHEMBL16235275 0.76 HSD11B1 (0.47) HSD11B1HSP90AA1HSP90AB1HPGDTDP1
SCHEMBL16235261 0.75 CCR4 (0.46) HSD11B1HPGDTDP1UBE2NL3MBTL1
SCHEMBL16235619 0.74 GLO1 (0.48) PGR
SCHEMBL16235784 0.74 S100A9 (0.63) HSD11B1HSP90AA1HSP90AB1L3MBTL1ALDH1A1
SCHEMBL30926954 0.73 MEN1 (0.64) L3MBTL1ALDH1A1SMN1; SMN2LIMK1LIMK2
SCHEMBL27179907 0.73 MEN1 (0.64) L3MBTL1ALDH1A1SMN1; SMN2LIMK1LIMK2

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-20220378763-A1 COMPOUND FOR TREATMENT OF ACUTE INFLAMMATION IN THE MYOCARDIUM CALPROTECT AB (SE) 2022-12-01 — — 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-20220378763-A1 COMPOUND FOR TREATMENT OF ACUTE INFLAMMATION IN THE MYOCARDIUM TNNT2, TNNI3, HMGB1 HSD11B1 1907/4885HSP90AA1 277/4885HSP90AB1 197/4885

“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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