SCHEMBL3116675

SCHEMBL3116675

NC(=O)C1CCN(C(=O)CNc2cc(C(=O)O)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 9/20 0.45
▸ MTOR P42345 4/20 0.45
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ GLA P06280 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3115600 0.89 ALDH1A1 (0.42) PIK3CASMN1; SMN2HSD17B10HTTLMNA
SCHEMBL3103765 0.89 ALDH1A1 (0.46) PIK3CASMN1; SMN2HSD17B10HTTLMNA
SCHEMBL3111878 0.87 ALDH1A1 (0.45) PIK3CASMN1; SMN2HSD17B10HTTLMNA
SCHEMBL3100457 0.86 ALDH1A1 (0.44) PIK3CASMN1; SMN2HSD17B10HTTLMNA
SCHEMBL3117501 0.84 ALDH1A1 (0.45) PIK3CAMTORSMN1; SMN2ALDH1A1GLA
SCHEMBL3116623 0.84 PIK3CA (0.47) PIK3CAPIK3CDPIK3CBSMN1; SMN2ALDH1A1
SCHEMBL3105933 0.83 PIK3CA (0.50) PIK3CAPIK3CBSMN1; SMN2HSD17B10HTT
SCHEMBL11926281 0.79 PIK3CA (0.42) PIK3CAMTORPIK3CDPIK3CBHSD17B10
SCHEMBL3114736 0.78 KMO (0.49) PIK3CAMTORPIK3CBSMN1; SMN2HSD17B10
SCHEMBL3105225 0.77 KDM4E (0.49) PIK3CAMTORSMN1; SMN2HSD17B10HTT

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 PIK3CA 2810/4885MTOR 578/4885PIK3CD 1632/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG PIK3CA 2810/4885MTOR 578/4885PIK3CD 1632/4885

“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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