SCHEMBL6338477

SCHEMBL6338477

CCN(CC)C(=O)CN(c1ccc(NC(C)C=C2C(=O)Nc3cc(OC)c(OC)cc32)cc1)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HCRTR2 O43614 6/20 0.38
BRD4 O60885 1/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HCRTR1 O43613 3/20 0.36
RAB9A P51151 1/20 0.35
TLK2 Q86UE8 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL6331060 0.89 KMT2A (0.43) RETMEN1KMT2ABRD4NPC1
SCHEMBL6331528 0.89 MEN1 (0.43) RETMEN1KMT2ABRD4NPC1
SCHEMBL6337818 0.89 KMT2A (0.44) RETMEN1KMT2ANPC1ALDH1A1
SCHEMBL6331388 0.86 PSEN1 (0.40) RETMEN1KMT2ABRD4TLK2
SCHEMBL6337046 0.86 RET (0.39) RETMEN1KMT2ABRD4TLK2
SCHEMBL6329112 0.84 RET (0.39) RETMEN1KMT2ABRD4TLK2
SCHEMBL7474241 0.84 RET (0.42) RETMEN1KMT2AHCRTR2BRD4
SCHEMBL6339064 0.84 BRD4 (0.40) RETMEN1KMT2ABRD4TLK2
SCHEMBL6335856 0.83 RET (0.39) RETMEN1KMT2ABRD4TLK2
SCHEMBL6330822 0.82 RET (0.44) RETBRD4TLK2GSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-13 US disclosed
US-6794395-B1 Substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-21 US 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 (1 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-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments CCNE1, CDK1, CCNI RET 154/4885MEN1 1645/4885KMT2A 1678/4885

“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.