SCHEMBL4887096

SCHEMBL4887096

COc1ccc(N)c(C(=O)N2C[C@H](C)C[C@H](C)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
CPS1 P31327 10/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL4887092 0.85 CPS1 (0.52) ALDH1A1HPGDCPS1RAB9A
SCHEMBL14087808 0.82 GAA (0.48) ALDH1A1HPGDCPS1RAB9A
SCHEMBL4740737 0.81 KDM4E (0.53) ALDH1A1HPGDRAB9A
SCHEMBL4889268 0.81 LMNA (0.47) ALDH1A1RAB9A
SCHEMBL4741213 0.81 KDM4E (0.53) ALDH1A1HPGDRAB9A
SCHEMBL4787091 0.77 PLA2G1B (0.55) ALDH1A1HPGDRAB9A
SCHEMBL14314760 0.77 CHRNB2 (0.65) ALDH1A1HPGD
SCHEMBL15650053 0.76 ALDH1A1 (0.53) ALDH1A1RAB9A
SCHEMBL29380973 0.74 SMN1; SMN2 (0.59) ALDH1A1
SCHEMBL27720018 0.74 SMN1; SMN2 (0.59) ALDH1A1

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-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 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-20080200512-A1 Hepatitis C virus polymerase inhibitors SSU72, POLR2H, POLR2E ALDH1A1 276/4885HPGD 1356/4885CPS1 6/4885

“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.