SCHEMBL3578683

SCHEMBL3578683

Cc1cccc(OCC(CS(=O)(=O)Cc2ccccc2)NC(=O)Nc2cccc3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 5/20 0.43
GSK3B P49841 1/20 0.43
MAPT P10636 1/20 0.42
ALDH1A1 P00352 6/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ANPEP P15144 1/20 0.40
CCKBR P32239 1/20 0.40
LMNA P02545 1/20 0.39
PLA2G1B P04054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GPR139 Q6DWJ6 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
SCHEMBL3576724 0.88 CCKBR (0.40) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL3570887 0.84 KMT2A (0.47) KMT2AMEN1KDM4EGSK3BMAPT
SCHEMBL3570903 0.80 MAPT (0.48) KMT2AMEN1KDM4EGSK3BMAPT
SCHEMBL3575868 0.79 HPGD (0.47) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL3575320 0.76 POLB (0.57) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL3577900 0.74 RAB9A (0.47) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL13316655 0.73 TRPV1 (0.56) KMT2AKDM4EMAPTALDH1A1
SCHEMBL3574588 0.73 TRPV1 (0.52) KMT2AKDM4EMAPTALDH1A1
SCHEMBL3578525 0.73 TRPV1 (0.51) ALDH1A1
SCHEMBL3575803 0.72 MEN1 (0.43) KMT2AMEN1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 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-20060270693-A1 Ether derivative UROD, IL5, IL17A KMT2A 648/4885MEN1 4235/4885KDM4E 374/4885

“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.