SCHEMBL3110123

SCHEMBL3110123

CC(=O)N1CCN(c2cc(C(=O)O)nc(N3CCOCC3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.49
KMO O15229 1/20 0.48
LMNA P02545 1/20 0.45
GBA1 P04062 2/20 0.44
PKM P14618 1/20 0.43
CASP6 P55212 1/20 0.43
GFER P55789 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
AKR1C3 P42330 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
CFTR P13569 1/20 0.41
NPC1 O15118 1/20 0.41
CKS1B P61024 1/20 0.40

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 0.89 KMO (0.57) PIK3CAKMOLMNAPKMKDM4E
SCHEMBL3114523 0.84 KMO (0.52) PIK3CAKMOLMNAPKMKDM4E
SCHEMBL3112249 0.81 KMO (0.49) PIK3CAKMOLMNAGBA1PKM
SCHEMBL16950261 0.81 KMO (0.55) PIK3CAKMOLMNAPKMSMN1; SMN2
SCHEMBL1124037 0.79 PIK3CA (0.65) PIK3CAGBA1PKMCYP2C9CYP2C19
SCHEMBL242170 0.74 KMO (0.56) PIK3CAKMOLMNAPKMKDM4E
SCHEMBL245694 0.74 KMO (0.49) PIK3CAKMOSMN1; SMN2KDM4EALDH1A1
SCHEMBL5453917 0.74 PIK3CB (0.58) PIK3CAKMOPKMSMN1; SMN2KDM4E
SCHEMBL594184 0.73 KMO (0.61) PIK3CAKMOLMNAPKMKDM4E
SCHEMBL1271891 0.73 KMO (0.61) PIK3CAKMOLMNAGBA1PKM

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 2810/4885KMO 1707/4885LMNA 4101/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG PIK3CA 2810/4885KMO 1707/4885LMNA 4101/4885

“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.