SCHEMBL6750210

SCHEMBL6750210

CC1(C)OC[C@H](C[C@@H](O)c2nccs2)N1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.36
ADAM17 P78536 1/20 0.33
CTSA P10619 3/20 0.32
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
TSHR P16473 1/20 0.30
TP53 P04637 1/20 0.30
MDM2 Q00987 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL6748030 1.00 KDM5A (0.36) KDM5AADAM17CTSAALOX15ALDH1A1
SCHEMBL5758196 0.79
SCHEMBL5756848 0.79
SCHEMBL5757217 0.77 IDO1 (0.36)
SCHEMBL6746347 0.77 CYP1A2 (0.30)
SCHEMBL6746322 0.77 CYP1A2 (0.30)
SCHEMBL6746374 0.77 IDO1 (0.36)
SCHEMBL4595038 0.76 CYP2D6 (0.49) TSHR
SCHEMBL1067441 0.74
SCHEMBL1067640 0.74

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-20040242871-A1 Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2004-12-02 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-20040242871-A1 Novel arylheteroalkylamine derivatives CYP1A1, NOS3, NOS1 KDM5A 2534/4885ADAM17 4566/4885CTSA 2357/4885

“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.