SCHEMBL499679

SCHEMBL499679

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
TTK P33981 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 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
SCHEMBL4812365 1.00 ATM (0.34) ATMTTKLMNAMAPTHTT
SCHEMBL4757400 0.91
SCHEMBL499316 0.90 HTR2C (0.33) ATMTTKLMNAMAPTHTT
SCHEMBL499317 0.90 HTR2C (0.33) ATMTTKLMNAMAPTHTT
SCHEMBL10254273 0.90 HTR2C (0.33) ATMTTKLMNAMAPTHTT
SCHEMBL499564 0.82 ATM (0.38) ATMTTKLMNAMAPTHTT
SCHEMBL499743 0.81 ATM (0.35) ATMTTK
SCHEMBL499753 0.81 HTR2C (0.33) ATMHTT
SCHEMBL499754 0.81 HTR2C (0.33) ATMHTT
SCHEMBL499755 0.81 HTR2C (0.33) ATMHTT

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 3 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
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO 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 ATM 4671/4885TTK 3631/4885LMNA 3400/4885

“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.