SCHEMBL12642020

SCHEMBL12642020

CCCCCCOC(=O)C[C@H](NC)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
EPHX1 P07099 1/20 0.50
FAAH O00519 2/20 0.49
NPSR1 Q6W5P4 2/20 0.46
RAD52 P43351 1/20 0.46
TSHR P16473 2/20 0.45
DGKA P23743 1/20 0.44
HTR2C P28335 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACHE P22303 5/20 0.41

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
SCHEMBL12085204 1.00 NAAA (0.53) NAAAEPHX1FAAHNPSR1RAD52
SCHEMBL20012347 0.87 NAAA (0.52) NAAAEPHX1FAAHNPSR1RAD52
SCHEMBL20012348 0.87 NAAA (0.52) NAAAEPHX1FAAHNPSR1RAD52
SCHEMBL16330090 0.86 ITGB3 (0.39) NAAAEPHX1FAAHHTR2C
SCHEMBL17586072 0.86 NAAA (0.51) NAAAEPHX1FAAHNPSR1RAD52
SCHEMBL19508718 0.86 NAAA (0.56) NAAAEPHX1FAAHNPSR1RAD52
SCHEMBL19508498 0.86 NAAA (0.51) NAAAEPHX1FAAHNPSR1RAD52
SCHEMBL28821757 0.84 NAAA (0.50) NAAAEPHX1FAAHNPSR1RAD52
SCHEMBL8349662 0.84 NAAA (0.50) NAAAEPHX1FAAHNPSR1RAD52
SCHEMBL12085206 0.84 NAAA (0.50) NAAAEPHX1FAAHNPSR1RAD52

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-20170304403-A1 METHOD FOR INHIBITING INFLAMMATION and PRO-INFLAMMATORY CYTOKINE/CHEMOKINE EXPRESSION USING A GHRELIN ANALOGUE IPSEN PHARMA S.A.S. (FR) 2017-10-26 US disclosed
US-20150111823-A1 METHOD FOR INHIBITING INFLAMMATION and PRO-INFLAMMATORY CYTOKINE/CHEMOKINE EXPRESSION USING A GHRELIN ANALOGUE IPSEN PHARMA S.A.S. (FR) 2015-04-23 US disclosed
US-8871706-B2 Method for inhibiting inflammation and pre-inflammatory cytokine/chemokine expression using a ghrelin analogue IPSEN PHARMA S.A.S. (FR) 2014-10-28 US disclosed
US-20110160133-A1 METHOD FOR INHIBITING INFLAMMATION AND PRE-INFLAMMATORY CYTOKINE/CHEMOKINE EXPRESSION USING A GHRELIN ANALOGUE IPSEN PHARMA S.A.S. (FR) 2011-06-30 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 (3 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-20170304403-A1 METHOD FOR INHIBITING INFLAMMATION and PRO-INFLAMMATORY CYTOKINE/CHEMOKINE EXPRESSION USING A GHRELIN ANALOGUE PROKR1, CCL2, PROKR2 NAAA 2491/4885EPHX1 1534/4885FAAH 785/4885
US-20150111823-A1 METHOD FOR INHIBITING INFLAMMATION and PRO-INFLAMMATORY CYTOKINE/CHEMOKINE EXPRESSION USING A GHRELIN ANALOGUE PROKR1, CCL2, PROKR2 NAAA 2491/4885EPHX1 1534/4885FAAH 785/4885
US-20110160133-A1 METHOD FOR INHIBITING INFLAMMATION AND PRE-INFLAMMATORY CYTOKINE/CHEMOKINE EXPRESSION USING A GHRELIN ANALOGUE PROKR1, PROKR2, CCL2 NAAA 2600/4885EPHX1 1546/4885FAAH 832/4885

“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.