SCHEMBL6839788

SCHEMBL6839788

COS(=O)(=O)[O-].C[S+](C)c1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.52
HPGD P15428 2/20 0.52
RAB9A P51151 3/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL8517516 0.82 KMT2A (0.43) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9647013 0.77 KMT2A (0.49) KMT2ATDP1MAPTALDH1A1RAB9A
SCHEMBL312287 0.77 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL10590135 0.76 CA1 (0.44) KMT2ALMNAALDH1A1MEN1
SCHEMBL22388846 0.76 KMT2A (0.76) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL19720791 0.75 KMT2A (0.69) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL18467576 0.75 KMT2A (0.69) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL27589165 0.74 TDP1 (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL8761637 0.74 CA2 (0.68) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL11511490 0.74 KMT2A (0.67) KMT2ATDP1SLC6A2SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040005708-A1 Polypeptide derivatives and nucleic acid carriers containing the same HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2004-01-08 US claimed
EP-1285942-A1 POLYPEPTIDE DERIVATIVES AND NUCLEIC ACID CARRIERS CONTAINING THE SAME HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2003-02-26 EP claimed
US-20040005708-A1 Polypeptide derivatives and nucleic acid carriers containing the same HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2004-01-08 US disclosed
EP-1285942-A1 POLYPEPTIDE DERIVATIVES AND NUCLEIC ACID CARRIERS CONTAINING THE SAME HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2003-02-26 EP 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-20040005708-A1 Polypeptide derivatives and nucleic acid carriers containing the same POLRMT, TAP1, RNASE1 KMT2A 4379/4885TDP1 30/4885SLC6A2 1724/4885

“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.