SCHEMBL3432004

SCHEMBL3432004

CC1(C)C(=O)CN[C@@H]1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
APLNR P35414 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ARG1 P05089 1/20 0.33
GRIA2 P42262 1/20 0.31
ESR1 P03372 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7134004 0.72 LMNA (0.39)
SCHEMBL10345486 0.68 HTT (0.41) HTTAPLNRARG1KMT2A
SCHEMBL10345485 0.68 HTT (0.41) HTTAPLNRARG1KMT2A
SCHEMBL24633711 0.65
SCHEMBL38655259 0.65
SCHEMBL7271734 0.64 HTT (0.38) HTTAPLNR
SCHEMBL3939441 0.64 HTT (0.38) HTTAPLNR
SCHEMBL28909985 0.64 APLNR (0.36) HTTAPLNREGLN1ESR1MEN1
SCHEMBL28535751 0.64 APLNR (0.36) HTTAPLNREGLN1ESR1MEN1
SCHEMBL16822071 0.64 APLNR (0.36) HTTAPLNREGLN1ESR1MEN1

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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP HTT 4472/4885APLNR 3997/4885EGLN1 671/4885

“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.