SCHEMBL3117501

SCHEMBL3117501

CN1CCN(C(=O)CNc2cc(C(=O)O)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ GLA P06280 1/20 0.45
▸ PKM P14618 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ PIK3CA P42336 13/20 0.42
▸ MTOR P42345 3/20 0.42
▸ PIK3CG P48736 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PIK3R1 P27986 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ PTGS2 P35354 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
SCHEMBL3103765 0.92 ALDH1A1 (0.46) ALDH1A1GLAPKMKDM4EPIK3CA
SCHEMBL3116623 0.92 PIK3CA (0.47) ALDH1A1GLAPKMKDM4EPIK3CA
SCHEMBL3111878 0.90 ALDH1A1 (0.45) ALDH1A1GLAPKMKDM4EPIK3CA
SCHEMBL3100457 0.89 ALDH1A1 (0.44) ALDH1A1GLAPKMKDM4EPIK3CA
SCHEMBL3115600 0.86 ALDH1A1 (0.42) ALDH1A1GLAPKMKDM4EPIK3CA
SCHEMBL3116675 0.84 PIK3CA (0.45) ALDH1A1GLAPKMKDM4EPIK3CA
SCHEMBL3113362 0.82 AKT1 (0.54) ALDH1A1PKMKDM4EPIK3CAMEN1
SCHEMBL3105933 0.82 PIK3CA (0.50) ALDH1A1GLAPKMKDM4EPIK3CA
SCHEMBL3100682 0.81 PIK3CA (0.52) ALDH1A1GLAPKMKDM4EPIK3CA
SCHEMBL3105225 0.81 KDM4E (0.49) ALDH1A1GLAPKMKDM4EPIK3CA

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 8 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-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

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 ALDH1A1 1381/4885GLA 1497/4885PKM 3729/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG ALDH1A1 1381/4885GLA 1497/4885PKM 3729/4885

“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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