SCHEMBL3112249

SCHEMBL3112249

O=C(O)c1cc(N2CCC(O)CC2)cc(N2CCOCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.49
PKM P14618 1/20 0.44
CFTR P13569 9/20 0.43
ATR Q13535 1/20 0.43
ATRIP Q8WXE1 1/20 0.43
PIK3CA P42336 1/20 0.42
PIK3C2B O00750 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GBA1 P04062 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
SCHEMBL425720 0.91 KMO (0.57) KMOPKMCFTRPIK3CAPIK3C2B
SCHEMBL3114523 0.85 KMO (0.52) KMOPKMCFTRPIK3CAPIK3C2B
SCHEMBL3118342 0.85 KMO (0.52) KMOPKMPIK3CAKDM4EALDH1A1
SCHEMBL16950261 0.82 KMO (0.55) KMOPKMCFTRPIK3CAKDM4E
SCHEMBL3110123 0.81 PIK3CA (0.49) KMOPKMCFTRPIK3CAKDM4E
SCHEMBL5488613 0.81 KMO (0.45) KMOPKMCFTRATRPIK3CA
SCHEMBL245694 0.75 KMO (0.49) KMOCFTRPIK3CAPIK3C2BKDM4E
SCHEMBL242170 0.75 KMO (0.56) KMOPKMPIK3CAKDM4EALDH1A1
SCHEMBL5454003 0.74 KMO (0.49) KMOPKMPIK3CAKDM4EALDH1A1
SCHEMBL3637243 0.74 CYP1A2 (0.49) ATRATRIPPIK3CAHTTMEN1

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 KMO 1707/4885PKM 3729/4885CFTR 1852/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG KMO 1707/4885PKM 3729/4885CFTR 1852/4885

“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.