SCHEMBL3108475

SCHEMBL3108475

CONc1cc(C(=O)O)nc(N2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.50
PKM P14618 1/20 0.45
PIK3CB P42338 5/20 0.44
PIK3CA P42336 2/20 0.44
KDM4E B2RXH2 5/20 0.43
HIF1A Q16665 2/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
GBA1 P04062 1/20 0.42
PIK3CD O00329 1/20 0.42
AKT1 P31749 1/20 0.42
RAB9A P51151 2/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5454003 0.81 KMO (0.49) KMOPKMPIK3CBPIK3CAKDM4E
SCHEMBL425720 0.77 KMO (0.57) KMOPKMPIK3CBPIK3CAKDM4E
SCHEMBL11926310 0.77 AKT1 (0.56) PIK3CBPIK3CAKDM4EHIF1AALDH1A1
SCHEMBL242170 0.76 KMO (0.56) KMOPKMPIK3CBPIK3CAKDM4E
SCHEMBL5453917 0.76 PIK3CB (0.58) KMOPKMPIK3CBPIK3CAKDM4E
SCHEMBL594184 0.75 KMO (0.61) KMOPKMPIK3CBPIK3CAKDM4E
SCHEMBL1271891 0.75 KMO (0.61) KMOPKMPIK3CAKDM4EGAA
SCHEMBL11926311 0.74 MAPT (0.46) KDM4EHIF1AGAAALDH1A1SMN1; SMN2
SCHEMBL2562660 0.73 KMO (0.52) KMOPKMPIK3CBPIK3CAKDM4E
SCHEMBL3114523 0.73 KMO (0.52) KMOPKMPIK3CBPIK3CAKDM4E

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 KMO 1707/4885PKM 3729/4885PIK3CB 1142/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG KMO 1707/4885PKM 3729/4885PIK3CB 1142/4885

“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.