SCHEMBL5455308

SCHEMBL5455308

NC1CCCN(S(=O)(=O)c2ccccc2F)CC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 4/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
PKLR P30613 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
SCHEMBL5447085 0.82 PKM (0.55) KMT2AALDH1A1GAATSHRCYP2C19
SCHEMBL5445260 0.82 MEN1 (0.62) KMT2AEPHX2TSHRHTR2AHTR2C
SCHEMBL16679159 0.81 ALOX5AP (0.54) KMT2AL3MBTL1EPHX2ALDH1A1GAA
SCHEMBL16679160 0.81 ALOX5AP (0.54) KMT2AL3MBTL1EPHX2ALDH1A1GAA
SCHEMBL5105476 0.81 ATM (0.52) L3MBTL1ALDH1A1GAATSHRCYP3A4
SCHEMBL5099593 0.80 MAPT (0.53) KMT2AL3MBTL1ALDH1A1GAACYP3A4
SCHEMBL14565738 0.79 KMT2A (0.48) KMT2AL3MBTL1EPHX2ALDH1A1GAA
SCHEMBL14489596 0.77 TSHR (0.71) KMT2AL3MBTL1EPHX2ALDH1A1TSHR
SCHEMBL24711286 0.77 HTR2A (0.55) KMT2AL3MBTL1EPHX2ALDH1A1GAA
SCHEMBL5096450 0.76 EPHX2 (0.47) KMT2AL3MBTL1EPHX2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 US claimed
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 US claimed
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 US disclosed
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 US disclosed
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 US disclosed
EP-1436255-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-07-14 EP disclosed
WO-2003024924-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-03-27 WO 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 (2 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-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE KMT2A 4602/4885L3MBTL1 4100/4885EPHX2 1860/4885
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE KMT2A 4602/4885L3MBTL1 4100/4885EPHX2 1860/4885

“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.