SCHEMBL14278024

SCHEMBL14278024

C=C[C@@H]1C[C@]1(C)C(=O)NS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MCOLN3 Q8TDD5 1/20 0.46
▸ PKLR P30613 2/20 0.45
▸ GAA P10253 2/20 0.44
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SLC40A1 Q9NP59 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL14364362 0.85 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAMCOLN3PKLR
SCHEMBL14278280 0.85 CFTR (0.38) ALDH1A1KDM4EPKLRSLC40A1
SCHEMBL14302072 0.85 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAMCOLN3PKLR
SCHEMBL14307933 0.84 MEN1 (0.38) ALDH1A1KDM4ESLC40A1
SCHEMBL14307935 0.83 NR3C1 (0.31) ALDH1A1
SCHEMBL14277981 0.79 NR3C1 (0.38) KDM4EMAPT
SCHEMBL14278281 0.78 KMT2A (0.32) KDM4ELMNA
SCHEMBL14278287 0.78 BRS3 (0.37) ALDH1A1KDM4EMAPK1
SCHEMBL14278294 0.78 METAP2 (0.36) LMNAGAASLC40A1
SCHEMBL14277995 0.77 HTR6 (0.37) LMNASLC40A1

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-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 — — 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 (2 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ALDH1A1 135/4885KDM4E 4021/4885LMNA 1174/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ALDH1A1 135/4885KDM4E 4021/4885LMNA 1174/4885

“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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