SCHEMBL3108560

SCHEMBL3108560

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 15/20 0.52
▸ ALDH1A1 P00352 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ NAPEPLD Q6IQ20 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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 0.86 KDM4E (0.49) PIK3CAALDH1A1GLAKDM4ESMN1; SMN2
SCHEMBL3105933 0.80 PIK3CA (0.50) PIK3CAALDH1A1GLAKDM4ESMN1; SMN2
SCHEMBL11926279 0.80 KDM4E (0.44) PIK3CAALDH1A1GLAKDM4ESMN1; SMN2
SCHEMBL3100682 0.79 PIK3CA (0.52) PIK3CAALDH1A1GLAKDM4ESMN1; SMN2
SCHEMBL3103765 0.79 ALDH1A1 (0.46) PIK3CAALDH1A1GLAKDM4ESMN1; SMN2
SCHEMBL3108579 0.78 ALDH1A1 (0.43) PIK3CAALDH1A1GLAKDM4ESMN1; SMN2
SCHEMBL3114918 0.78 ALDH1A1 (0.42) PIK3CAALDH1A1GLAKDM4ETSHR
SCHEMBL3111878 0.77 ALDH1A1 (0.45) PIK3CAALDH1A1GLAKDM4ESMN1; SMN2
SCHEMBL3114446 0.77 ALDH1A1 (0.53) PIK3CAALDH1A1GLAKDM4ESMN1; SMN2
SCHEMBL3117501 0.76 ALDH1A1 (0.45) PIK3CAALDH1A1GLAKDM4ESMN1; SMN2

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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