SCHEMBL3116623

SCHEMBL3116623

CC(=O)N1CCN(C(=O)CNc2cc(C(=O)O)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 13/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ GLA P06280 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ PIK3CD O00329 2/20 0.41
▸ PIK3CB P42338 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ PIK3R1 P27986 2/20 0.41
▸ ACHE P22303 1/20 0.41
▸ MAP3K12 Q12852 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) PIK3CAALDH1A1GLAKDM4EMEN1
SCHEMBL3117501 0.92 ALDH1A1 (0.45) PIK3CAALDH1A1GLAKDM4EMEN1
SCHEMBL3111878 0.90 ALDH1A1 (0.45) PIK3CAALDH1A1GLAKDM4EMEN1
SCHEMBL3100457 0.89 ALDH1A1 (0.44) PIK3CAALDH1A1GLAKDM4EMEN1
SCHEMBL3115600 0.86 ALDH1A1 (0.42) PIK3CAALDH1A1GLAKDM4EMEN1
SCHEMBL3116675 0.84 PIK3CA (0.45) PIK3CAALDH1A1GLAKDM4EGAA
SCHEMBL3105933 0.82 PIK3CA (0.50) PIK3CAALDH1A1GLAKDM4EMEN1
SCHEMBL3100682 0.81 PIK3CA (0.52) PIK3CAALDH1A1GLAKDM4EMEN1
SCHEMBL23684180 0.81 PIK3CA (0.46) PIK3CAALDH1A1KDM4EMEN1GAA
SCHEMBL3105225 0.81 KDM4E (0.49) PIK3CAALDH1A1GLAKDM4EMEN1

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 10 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
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 — — EP claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 — — WO 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 PIK3CA 2810/4885ALDH1A1 1381/4885GLA 1497/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG PIK3CA 2810/4885ALDH1A1 1381/4885GLA 1497/4885

“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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