SCHEMBL3114918

SCHEMBL3114918

O=C(CNc1cc(C(=O)O)nc(N2CCOCC2)n1)NC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ GLA P06280 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ CNR2 P34972 2/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PIK3CA P42336 3/20 0.40
▸ PKM P14618 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PIK3CB P42338 1/20 0.39

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
SCHEMBL3105225 0.82 KDM4E (0.49) ALDH1A1GLAPIK3CAPKMKDM4E
SCHEMBL3105933 0.81 PIK3CA (0.50) ALDH1A1GLAPIK3CAPKMKDM4E
SCHEMBL3111878 0.81 ALDH1A1 (0.45) ALDH1A1GLAPIK3CAPKMKDM4E
SCHEMBL3103765 0.80 ALDH1A1 (0.46) ALDH1A1GLAPIK3CAPKMKDM4E
SCHEMBL3100457 0.80 ALDH1A1 (0.44) ALDH1A1GLAPIK3CAPKMKDM4E
SCHEMBL3115600 0.79 ALDH1A1 (0.42) ALDH1A1GLAPIK3CAPKMKDM4E
SCHEMBL28943227 0.79 PIK3CA (0.53) ALDH1A1TSHRPIK3CAKDM4EGAA
SCHEMBL3100682 0.78 PIK3CA (0.52) ALDH1A1GLAPIK3CAPKMKDM4E
SCHEMBL30000081 0.78 PIK3CA (0.56) ALDH1A1TSHRPIK3CAKDM4EGAA
SCHEMBL27172434 0.78 PIK3CA (0.56) ALDH1A1TSHRPIK3CAKDM4EGAA

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 ALDH1A1 1381/4885GLA 1497/4885TSHR 3812/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG ALDH1A1 1381/4885GLA 1497/4885TSHR 3812/4885

“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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