SCHEMBL1709357

SCHEMBL1709357

CCC(C)(C)C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.63
TSHR P16473 1/20 0.61
HPGD P15428 4/20 0.60
HSD17B10 Q99714 2/20 0.60
GAA P10253 2/20 0.59
RECQL P46063 2/20 0.59
RAB9A P51151 2/20 0.59
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
MMP13 P45452 1/20 0.56
TP53 P04637 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
NPC1 O15118 1/20 0.55

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
SCHEMBL1709314 0.87 SMN1; SMN2 (0.68) SMN1; SMN2HPGDHSD17B10GAARECQL
SCHEMBL20363289 0.87 KMT2A (0.59) SMN1; SMN2TSHRHPGDHSD17B10GAA
SCHEMBL20363239 0.80 KMT2A (0.57) SMN1; SMN2TSHRHPGDHSD17B10GAA
SCHEMBL1709310 0.80 HPGD (0.73) SMN1; SMN2HPGDHSD17B10GAARAB9A
SCHEMBL4991673 0.80 SMN1; SMN2 (0.73) SMN1; SMN2HPGDHSD17B10GAARECQL
SCHEMBL179085 0.79 RAB9A (0.76) SMN1; SMN2HPGDHSD17B10GAARECQL
SCHEMBL30932891 0.78 SMN1; SMN2 (0.75) SMN1; SMN2HPGDHSD17B10GAARECQL
SCHEMBL2937877 0.78 SMN1; SMN2 (0.70) SMN1; SMN2HPGDHSD17B10GAARECQL
SCHEMBL12863523 0.78 RAB9A (0.60) SMN1; SMN2GAARAB9AKMT2AMEN1
SCHEMBL29196210 0.78 HPGD (0.70) SMN1; SMN2HPGDHSD17B10RAB9AKMT2A

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-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 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 (2 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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO SMN1; SMN2 1774/4885TSHR 3526/4885HPGD 500/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO SMN1; SMN2 1774/4885TSHR 3526/4885HPGD 500/4885

“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.