SCHEMBL13601089

SCHEMBL13601089

C[C@H](/N=C/c1nccs1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.36
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.31
JAK2 O60674 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL14443175 1.00 METAP1 (0.36) METAP1CDK4CCND1CCNE1CDK2
SCHEMBL6374179 0.84 TDP1 (0.37) METAP1CDK4CCND1CCNE1CDK2
SCHEMBL6374183 0.84 TDP1 (0.37) METAP1CDK4CCND1CCNE1CDK2
SCHEMBL13697067 0.80 FDPS (0.38) METAP1CDK4CCND1CCNE1CDK2
SCHEMBL5218373 0.79 ALDH1A1 (0.38) CDK4CCND1CCNE1CDK2ALDH1A1
SCHEMBL5218369 0.79 ALDH1A1 (0.38) CDK4CCND1CCNE1CDK2ALDH1A1
SCHEMBL14443169 0.78 ALDH1A1 (0.47) METAP1ALDH1A1LMNAKMT2AMEN1
SCHEMBL14443173 0.77 ALDH1A1 (0.39) METAP1ALDH1A1
SCHEMBL14350282 0.77 MIF (0.46) ALDH1A1POLBNPSR1TDP1MAPT
SCHEMBL13697081 0.75 METAP1 (0.32) METAP1ALDH1A1

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-20090326019-A1 3,4-BICYCLIC PYRROLIDINE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-20090326019-A1 3,4-BICYCLIC PYRROLIDINE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2009-12-31 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-20090326019-A1 3,4-BICYCLIC PYRROLIDINE ANTIVIRALS ZC3HAV1, EIF2AK2, POLRMT METAP1 1261/4885CDK4 188/4885CCND1 277/4885

“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.