SCHEMBL5483871

SCHEMBL5483871

COC(=O)C1CC(=O)N(c2ccc(N3CCCC3=O)cc2)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA4 P22748 2/20 0.64
CA6 P23280 2/20 0.64
CA7 P43166 2/20 0.64
CA9 Q16790 2/20 0.64
CA13 Q8N1Q1 2/20 0.64
CA12 O43570 1/20 0.64
CA14 Q9ULX7 1/20 0.64
CA5B Q9Y2D0 1/20 0.64
GAA P10253 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
HPGD P15428 2/20 0.49
BRD4 O60885 1/20 0.49
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL20676052 0.84 CA1 (0.67) ALDH1A1CA1CA2CA4CA6
SCHEMBL5480631 0.83 ALDH1A1 (0.60) ALDH1A1CA1CA2CA4CA6
SCHEMBL9031939 0.83 MAPK1 (0.70) ALDH1A1CA1CA2CA4CA6
SCHEMBL19793283 0.83 MAPK1 (0.70) ALDH1A1CA1CA2CA4CA6
SCHEMBL3365457 0.83 ALDH1A1 (0.70) ALDH1A1CA1CA2CA4CA6
SCHEMBL1777398 0.83 ALDH1A1 (0.70) ALDH1A1CA1CA2CA4CA6
SCHEMBL3365627 0.83 ALDH1A1 (0.70) ALDH1A1CA1CA2CA4CA6
SCHEMBL2215736 0.82 ALDH1A1 (0.68) ALDH1A1CA1CA2CA4CA6
SCHEMBL6265330 0.82 ALDH1A1 (0.70) ALDH1A1CA1CA2CA4CA6
SCHEMBL6271004 0.82 ALDH1A1 (0.76) ALDH1A1CA1CA2CA4CA6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066615-A1 Heterocyclic compounds BAYER HEATHCARE AG (DE) 2007-03-22 US disclosed
US-20070066615-A1 Heterocyclic compounds BAYER HEATHCARE AG (DE) 2007-03-22 US disclosed
US-20070066615-A1 Heterocyclic compounds BAYER HEATHCARE AG (DE) 2007-03-22 US disclosed
WO-2004101557-A1 HETEROCYCLIC COMPOUNDS BAYER HEALTHCARE AG (DE) 2004-11-25 WO 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-20070066615-A1 Heterocyclic compounds F2, SERPINC1, TFPI ALDH1A1 364/4885CA1 1832/4885CA2 1589/4885

“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.