SCHEMBL1725646

SCHEMBL1725646

CN(CCC(=O)c1cccc(SCC2CCCCC2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.43
SLC6A4 P31645 6/20 0.43
HTR2A P28223 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.34
MAP1LC3A Q9H492 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRA P10827 1/20 0.32

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
SCHEMBL13400276 0.81 EPHX1 (0.41) MAP1LC3BMAP1LC3AKMT2AMEN1ALDH1A1
SCHEMBL1710349 0.80 EPHX1 (0.39) MAP1LC3BMAP1LC3AKMT2AMEN1ALDH1A1
SCHEMBL1724954 0.80 HTR2C (0.42) HTR2CSLC6A4HTR2AKMT2AALDH1A1
SCHEMBL3388465 0.77 MAP1LC3B (0.41) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL3386027 0.76 MAP1LC3B (0.41) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL13433134 0.74 MAP1LC3B (0.41) L3MBTL1MAP1LC3BMAP1LC3AKMT2AMEN1
SCHEMBL6050410 0.74 CTNNB1 (0.42) KMT2AMEN1MAPTSMN1; SMN2THRA
SCHEMBL499531 0.74 ERCC5 (0.43) SLC6A4KMT2AMEN1ALDH1A1MAPT
SCHEMBL1710614 0.74 EPHX1 (0.39) MAP1LC3BMAP1LC3AKMT2AMEN1ALDH1A1
SCHEMBL21848475 0.73 KMT2A (0.58) HTR2CSLC6A4L3MBTL1KMT2AMEN1

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
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 HTR2C 4429/4885SLC6A4 1338/4885HTR2A 3672/4885

“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.