SCHEMBL963199

SCHEMBL963199

CC(C)OCCCNS(=O)(=O)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
PAX8 Q06710 1/20 0.42
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 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
SCHEMBL964483 0.92 MEN1 (0.44) GAAALDH1A1HPGDKMT2AMEN1
SCHEMBL966590 0.81 CA12 (0.49) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL962182 0.80 L3MBTL1 (0.48) ALDH1A1PKMKMT2AMEN1LMNA
SCHEMBL966298 0.80 CA12 (0.50) ALDH1A1HPGDKMT2AMEN1
SCHEMBL963548 0.78 CA12 (0.47) KMT2AMEN1LMNAMAPTRAB9A
SCHEMBL4441361 0.77 ALDH1A1 (0.65) GAAALDH1A1HPGDKMT2AMEN1
SCHEMBL963555 0.75 HSD11B1 (0.46) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL963552 0.69 MEN1 (0.46) KMT2AMEN1LMNAMAPTRAB9A
SCHEMBL22984652 0.69 HTT (0.63) GAAALDH1A1KDM4ETDP1LMNA
SCHEMBL4602434 0.68 LMNA (0.50) GAAHPGDKDM4EPKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG GAA 1120/4885ALDH1A1 821/4885HPGD 378/4885

“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.