SCHEMBL759761

SCHEMBL759761

CCOC(=O)CCC[C@@H](N)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
NOD1 Q9Y239 2/20 0.44
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
PTGS2 P35354 1/20 0.42
PDE4D Q08499 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL3955997 1.00 CYP1A2 (0.57) CYP1A2KMT2APOLBL3MBTL1NOD1
SCHEMBL3950974 0.94 CYP1A2 (0.55) CYP1A2KMT2APOLBL3MBTL1NOD1
SCHEMBL11456748 0.93 CYP1A2 (0.53) CYP1A2KMT2APOLBL3MBTL1NOD1
SCHEMBL11081103 0.93 CYP1A2 (0.53) CYP1A2KMT2APOLBL3MBTL1NOD1
SCHEMBL374738 0.88 L3MBTL1 (0.53) CYP1A2KMT2APOLBL3MBTL1NOD1
SCHEMBL207116 0.88 L3MBTL1 (0.53) CYP1A2KMT2APOLBL3MBTL1NOD1
SCHEMBL573710 0.88 L3MBTL1 (0.53) CYP1A2KMT2APOLBL3MBTL1NOD1
Hydrochloric Acid SCHEMBL2012219 0.86 L3MBTL1 (0.51) CYP1A2KMT2APOLBL3MBTL1NOD1
Hydrochloric Acid SCHEMBL134419 0.86 L3MBTL1 (0.51) CYP1A2KMT2APOLBL3MBTL1NOD1
SCHEMBL20270768 0.86 L3MBTL1 (0.51) CYP1A2KMT2APOLBL3MBTL1NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761495-B1 PIPERIDINYL PROSTAGLANDIN ANALOGS AS OCULAR HYPOTENSIVE AGENTS ALLERGAN INC (US) 2012-03-21 EP disclosed
US-7435746-B2 5-thiopiperdinyl prostaglandin E analogs ALLERGAN, INC. (US) 2008-10-14 US disclosed
US-7435746-B2 5-thiopiperdinyl prostaglandin E analogs ALLERGAN, INC. (US) 2008-10-14 US disclosed
EP-1761495-A2 PIPERIDINYL PROSTAGLANDIN ANALOGS AS OCULAR HYPOTENSIVE AGENTS Allergan Inc. (US) 2007-03-14 EP disclosed
US-20060281713-A1 5-Thiopiperdinyl prostaglandin e analogs OLD DAVID W 2006-12-14 US disclosed
WO-2005121086-A2 PIPERIDINYL PROSTAGLANDIN ANALOGS AS OCULAR HYPOTENSIVE AGENTS ALLERGAN, INC. (US) 2005-12-22 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-20060281713-A1 5-Thiopiperdinyl prostaglandin e analogs PTGES, PTGES2, ALOX5 CYP1A2 180/4885KMT2A 4425/4885POLB 3187/4885

“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.