SCHEMBL2548747

SCHEMBL2548747

C=CC[C@](CCN(C(=O)O)[C@@H](CC(C)(C)C)C(C)(C)C)(N[S@+]([O-])C(C)(C)C)c1ccc(F)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2934660 0.88 KMT2A (0.31) MEN1KMT2ASMN1; SMN2
SCHEMBL2548746 0.85
SCHEMBL3770808 0.81
SCHEMBL12233933 0.80
SCHEMBL13010742 0.75 CACNA1G (0.32)
SCHEMBL2541306 0.72 RIPK1 (0.30)
SCHEMBL2541305 0.72 RIPK1 (0.30)
SCHEMBL3211002 0.68 KMT2A (0.35) MEN1KMT2ASMN1; SMN2
SCHEMBL3210998 0.68 KMT2A (0.35) MEN1KMT2ASMN1; SMN2
SCHEMBL2567035 0.67 KCNN4 (0.33) SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263582-A1 CYCLIC UREA INHIBITORS OF 11 B-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-10-27 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-20110263582-A1 CYCLIC UREA INHIBITORS OF 11 B-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CTSL 3936/4885MEN1 1641/4885KMT2A 4449/4885

“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.