SCHEMBL6742155

SCHEMBL6742155

CN(C)C(=O)c1cc(S(C)(=O)=O)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIK3C3 Q8NEB9 4/20 0.38
CNR2 P34972 1/20 0.37
LMNA P02545 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAF1 P04049 3/20 0.34
GSR P00390 2/20 0.34
ROCK1 Q13464 1/20 0.34
BRAF P15056 1/20 0.34
KDM6B O15054 1/20 0.33
TET3 O43151 1/20 0.33
KDM4A O75164 1/20 0.33
BBOX1 O75936 1/20 0.33

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
SCHEMBL20790368 0.81 KDM4E (0.53) ALDH1A1KDM4EMAPTL3MBTL1PIK3C3
SCHEMBL5700255 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTPIK3C3LMNA
SCHEMBL30525023 0.81 KDM4E (0.53) ALDH1A1KDM4EMAPTL3MBTL1PIK3C3
SCHEMBL30874237 0.79 ADORA3 (0.40) PIK3C3LMNAROCK1KDM5AKDM4C
SCHEMBL22346451 0.78 LMNA (0.40) PIK3C3LMNANPC1SMN1; SMN2KDM5A
SCHEMBL20791437 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTL3MBTL1PIK3C3
SCHEMBL5700227 0.76 HRH4 (0.41) PIK3C3LMNANPC1ROCK1RIPK2
SCHEMBL4947098 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTL3MBTL1PIK3C3
SCHEMBL6742993 0.74 KMT2A (0.53) ALDH1A1RAB9ANPC1KDM4AKDM5C
SCHEMBL803789 0.74 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTL3MBTL1PIK3C3

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-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 ALDH1A1 3993/4885KDM4E 2983/4885MAPT 4407/4885

“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.