SCHEMBL4331287

SCHEMBL4331287

CCC(CO)CNCC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.33
CYP2D6 P10635 1/20 0.33
CTSK P43235 3/20 0.31
CTSS P25774 2/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA14 Q9ULX7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
VSIR Q9H7M9 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL6239277 0.79 CYP2D6 (0.37) PTPRCCYP2D6CTSKCTSSCA12
SCHEMBL4335839 0.79 CYP2D6 (0.37) PTPRCCYP2D6CTSKCA12CA2
SCHEMBL4343020 0.79 CYP2D6 (0.37) PTPRCCYP2D6CTSKCA12CA2
SCHEMBL5189416 0.77 CYP2D6 (0.40) PTPRCCYP2D6CTSKCTSSCA12
SCHEMBL4334770 0.77 CYP2D6 (0.39) PTPRCCYP2D6CTSKCTSSCA12
SCHEMBL21361575 0.76 TDP1 (0.46) CTSKCTSSCA12CA2CA14
SCHEMBL14653705 0.76 TDP1 (0.46) CTSKCTSSCA12CA2CA14
SCHEMBL783009 0.75 CA2 (0.41) PTPRCCYP2D6CTSKCA12CA2
SCHEMBL15391269 0.75 APLNR (0.38) PTPRCCYP2D6CTSKCA12CA2
SCHEMBL30485492 0.75 CYP2D6 (0.39) PTPRCCYP2D6CTSKCA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612068-B2 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2009-11-03 US disclosed
US-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2006-10-19 US disclosed
EP-1622868-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2006-02-08 EP disclosed
WO-2004096761-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2004-11-11 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-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives TYR, TPST2, COMT PTPRC 2094/4885CYP2D6 75/4885CTSK 2879/4885

“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.