SCHEMBL14930635

SCHEMBL14930635

CCC(=O)NCC(C)(C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RECQL P46063 1/20 0.31
PSMB5 P28074 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
SCHEMBL20863032 0.82 CASP2 (0.45) MTNR1AMTNR1B
SCHEMBL14930642 0.81
SCHEMBL8964 0.80 MEN1 (0.50) MEN1KMT2AMTNR1AMTNR1BCYP2C9
SCHEMBL23341003 0.79 CYP1A2 (0.32) CYP1A2RECQL
SCHEMBL12742134 0.79 HPGD (0.42) MEN1KMT2ACYP2C9CYP1A2SMN1; SMN2
SCHEMBL24245534 0.79 MEN1 (0.40) MEN1KMT2AMTNR1AMTNR1BCYP2C9
SCHEMBL12947998 0.78 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BCYP2C9
SCHEMBL14302929 0.76 MEN1 (0.46) MEN1KMT2AMTNR1AMTNR1BCYP2C9
SCHEMBL5940256 0.76 MEN1 (0.46) MEN1KMT2AMTNR1AMTNR1BCYP2C9
SCHEMBL12847744 0.76 MEN1 (0.46) MEN1KMT2AMTNR1AMTNR1BCYP2C9

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-9669027-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-06 US disclosed
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-11 US disclosed
US-9212168-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-15 US disclosed
US-20130115194-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-05-09 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-20130115194-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF MEN1 3387/4885KMT2A 3141/4885MTNR1A 4459/4885
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF MEN1 3387/4885KMT2A 3141/4885MTNR1A 4459/4885

“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.