SCHEMBL3114922

SCHEMBL3114922

CN(C(=O)NC1CCCC1)c1cc(C(=O)O)nc(N2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAPEPLD Q6IQ20 1/20 0.46
▸ PIK3CA P42336 11/20 0.44
▸ CNR2 P34972 3/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ TSHR P16473 1/20 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
SCHEMBL3105230 0.82 NAPEPLD (0.48) NAPEPLDPIK3CAMAPK1
SCHEMBL3100688 0.80 PIK3CA (0.50) NAPEPLDPIK3CAMAPK1
SCHEMBL3105942 0.80 MAPK1 (0.51) NAPEPLDPIK3CAMAPK1
SCHEMBL5485473 0.76 POLB (0.43) CNR2MAPK1PKM
SCHEMBL3114918 0.75 ALDH1A1 (0.42) PIK3CACNR2PKMTSHR
SCHEMBL3114617 0.74 PIK3CA (0.48) NAPEPLDPIK3CAMAPK1
SCHEMBL3117364 0.73 PIK3CA (0.59) NAPEPLDPIK3CA
SCHEMBL3103448 0.73 NAPEPLD (0.49) NAPEPLDPIK3CAMAPK1
SCHEMBL3116657 0.72 NAPEPLD (0.48) NAPEPLDPIK3CAMAPK1
SCHEMBL28943227 0.72 PIK3CA (0.53) PIK3CATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 — — US claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US claimed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 — — US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 — — US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 — — US disclosed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 — — EP disclosed
US-7226702-B2 Solid polymer electrolyte and method of preparation QUALLION LLC (US) 2007-06-05 — — US disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 — — WO disclosed
US-20050019667-A1 Solid polymer electrolyte and method of preparation ENERGY, UNITED STATES DEPARTMENT OF 2005-01-27 — — US disclosed
WO-2003083971-A1 SOLID POLYMER ELECTROLYTE AND METHOD OF PREPARATION QUALLION LLC (US) 2003-10-09 — — 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 (2 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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG NAPEPLD 1303/4885PIK3CA 2810/4885CNR2 330/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG NAPEPLD 1303/4885PIK3CA 2810/4885CNR2 330/4885

“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.

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