SCHEMBL499755

SCHEMBL499755

CN(CCC(=N[S+]([O-])C(C)(C)C)c1cc(Cl)ccc1C1=NC(C)(C)CO1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
PDK2 Q15119 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 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
SCHEMBL10254301 1.00 HTR2C (0.33) HTR2CSLC6A4CCNE2CCNE1CDK2
SCHEMBL499754 1.00 HTR2C (0.33) HTR2CSLC6A4CCNE2CCNE1CDK2
SCHEMBL499753 1.00 HTR2C (0.33) HTR2CSLC6A4CCNE2CCNE1CDK2
SCHEMBL499316 0.91 HTR2C (0.33) HTR2CSLC6A4PDK2HTTATM
SCHEMBL499315 0.91 HTR2C (0.33) HTR2CSLC6A4PDK2HTTATM
SCHEMBL499317 0.91 HTR2C (0.33) HTR2CSLC6A4PDK2HTTATM
SCHEMBL10254273 0.91 HTR2C (0.33) HTR2CSLC6A4PDK2HTTATM
SCHEMBL4757400 0.90
SCHEMBL499979 0.90
SCHEMBL8081880 0.85 HTR2C (0.32) HTR2CSLC6A4CCNE2CCNE1CDK2

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-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 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-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP HTR2C 2973/4885SLC6A4 603/4885CCNE2 3885/4885

“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.