SCHEMBL3388465

SCHEMBL3388465

NCCC(=O)c1cccc(SCC2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 1/20 0.41
MAP1LC3A Q9H492 1/20 0.41
APEX1 P27695 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CTSK P43235 2/20 0.37
AR P10275 1/20 0.37
METAP2 P50579 1/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3386027 0.99 MAP1LC3B (0.41) MAP1LC3BMAP1LC3AAPEX1KMT2AMEN1
SCHEMBL13433134 0.86 MAP1LC3B (0.41) MAP1LC3BMAP1LC3AAPEX1KMT2AMEN1
SCHEMBL1710720 0.85 MAP1LC3B (0.38) MAP1LC3BMAP1LC3AAPEX1
SCHEMBL13400260 0.81 HDAC6 (0.44) MAP1LC3BMAP1LC3AKMT2AMEN1CTSK
SCHEMBL1710363 0.80 MAP1LC3B (0.38) MAP1LC3BMAP1LC3AAPEX1KMT2AMEN1
SCHEMBL26145088 0.79 APEX1 (0.58) MAP1LC3BMAP1LC3AAPEX1KMT2AMEN1
SCHEMBL13400276 0.78 EPHX1 (0.41) MAP1LC3BMAP1LC3AKMT2AMEN1CTSK
SCHEMBL1725646 0.77 HTR2C (0.43) MAP1LC3BMAP1LC3AKMT2AMEN1L3MBTL1
SCHEMBL1710349 0.77 EPHX1 (0.39) MAP1LC3BMAP1LC3AKMT2AMEN1CTSK
SCHEMBL3388594 0.76 APEX1 (0.36) MAP1LC3BMAP1LC3AAPEX1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844636-B1 METHODS FOR THE TREATMENT OF PROLIFERATIVE DIABETIC RETINOPATHY ACUCELA INC (US) 2020-04-22 EP disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US 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 MAP1LC3B 1120/4885MAP1LC3A 1459/4885APEX1 1261/4885

“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.