SCHEMBL13799142

SCHEMBL13799142

CC(C)(C)OC(=O)Nc1ccccc1Nc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX12 P18054 1/20 0.44
CXCL8 P10145 1/20 0.44
BRD9 Q9H8M2 1/20 0.42
GAA P10253 1/20 0.41
CYP17A1 P05093 1/20 0.41
METAP1 P53582 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL661640 0.91 RAB9A (0.56) LMNAPOLBRAB9ANPC1NPSR1
SCHEMBL2880191 0.85 LMNA (0.54) LMNAPOLBRAB9ANPC1RXFP1
SCHEMBL4725312 0.80 SMN1; SMN2 (0.52) LMNAPOLBRAB9ANPC1NPSR1
SCHEMBL28220374 0.80 RXFP1 (0.47) LMNAPOLBRAB9ANPC1NPSR1
SCHEMBL736662 0.79 POLB (0.49) LMNAPOLBRAB9ANPC1RXFP1
SCHEMBL2880194 0.79 BRD9 (0.52) LMNAPOLBRAB9ANPC1RXFP1
SCHEMBL24427984 0.79 CXCR2 (0.48) LMNAPOLBRAB9ANPC1NPSR1
SCHEMBL22874399 0.79 HDAC1 (0.50) LMNAPOLBRAB9ANPC1NPSR1
SCHEMBL4365913 0.78 GAA (0.53) LMNAPOLBRAB9ANPC1NPSR1
SCHEMBL15711990 0.78 LMNA (0.48) LMNAPOLBRAB9ANPC1PDK1

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
WO-2009076502-A1 METHODS FOR THE PREPARATION OF HYDROXY-SUBSTITUTED ARYL SULFAMIDE COMPOUNDS WYETH (US) 2009-06-18 WO disclosed
US-20090156826-A1 METHODS FOR THE PREPARATION OF HYDROXY-SUBSTITUTED ARYL SULFAMIDE COMPOUNDS WYETH (US) 2009-06-18 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-20090156826-A1 METHODS FOR THE PREPARATION OF HYDROXY-SUBSTITUTED ARYL SULFAMIDE COMPOUNDS SLC6A2, SLC6A4, TPH1 LMNA 3176/4885POLB 1932/4885RAB9A 3501/4885

“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.