SCHEMBL464236

SCHEMBL464236

CCC(=O)N1C(=O)N(C)C(C)C1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
TSHR P16473 2/20 0.52
ATM Q13315 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 2/20 0.40
LMNA P02545 4/20 0.40
RIPK1 Q13546 2/20 0.39
ELANE P08246 1/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL463912 0.83 TSHR (0.56) MEN1KMT2ATSHRATMSMN1; SMN2
SCHEMBL5747224 0.80 MEN1 (0.45) MEN1KMT2ATSHRLMNAELANE
SCHEMBL416900 0.79 TSHR (0.52) MEN1KMT2ATSHRATMSMN1; SMN2
SCHEMBL12291514 0.79 ALDH1A1 (0.50) MEN1KMT2ATSHRSMN1; SMN2LMNA
SCHEMBL7806213 0.78 TSHR (0.51) MEN1KMT2ATSHRATMSMN1; SMN2
SCHEMBL13986308 0.77 MEN1 (0.47) MEN1KMT2ATSHRATMSMN1; SMN2
SCHEMBL13986305 0.77 MEN1 (0.47) MEN1KMT2ATSHRATMSMN1; SMN2
SCHEMBL14569802 0.76 KMT2A (0.72) MEN1KMT2ATSHRATMSMN1; SMN2
SCHEMBL13890643 0.75 TSHR (0.48) MEN1KMT2ATSHRHTTLMNA
SCHEMBL13875774 0.75 TSHR (0.48) MEN1KMT2ATSHRHTTLMNA

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-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-8252923-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-28 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
US-7820671-B2 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 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 (2 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-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD MEN1 3086/4885KMT2A 3611/4885TSHR 4389/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP MEN1 3270/4885KMT2A 3519/4885TSHR 4606/4885

“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.