SCHEMBL2541302

SCHEMBL2541302

C=CC[C@](O)(CCN(C(=O)OC)C(C)C(C)(C)C)c1ccc(F)cc1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
KCNN4 O15554 1/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
HDAC6 Q9UBN7 2/20 0.31
LMNA P02545 1/20 0.30
RECQL P46063 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
SCHEMBL12233915 1.00 MEN1 (0.32) MEN1KMT2ASMN1; SMN2L3MBTL1NOS3
SCHEMBL2567029 0.88 KCNN4 (0.33) SMN1; SMN2KCNN4
SCHEMBL2567035 0.88 KCNN4 (0.33) SMN1; SMN2KCNN4
SCHEMBL2567032 0.88 KCNN4 (0.33) SMN1; SMN2KCNN4
SCHEMBL13953570 0.80 MTNR1A (0.35) L3MBTL1
SCHEMBL13953598 0.80 GPR139 (0.32) NOS2
SCHEMBL15368398 0.80 GPR139 (0.32) NOS2
SCHEMBL2541305 0.77 RIPK1 (0.30)
SCHEMBL2541306 0.77 RIPK1 (0.30)
SCHEMBL12233933 0.75

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 MEN1 1641/4885KMT2A 4449/4885SMN1; SMN2 3608/4885

“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.