SCHEMBL5848547

SCHEMBL5848547

CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)CN1CCCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
ALDH1A1 P00352 6/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL5848654 0.82 CTSL (0.52) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL5850011 0.81 GAA (0.48) ALDH1A1GAAMAPTNPC1MEN1
SCHEMBL5848563 0.78 ALDH1A1 (0.46) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL7253433 0.77 CHRM2 (0.54) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL5850300 0.77 ALDH1A1 (0.48) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL5850357 0.77 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3ALDH1A1
Hydrochloric Acid SCHEMBL5849035 0.76 CHRM2 (0.53) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL5849886 0.75 ALDH1A1 (0.45) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL5850047 0.75 CTSK (0.53) CTSLCTSSCTSK
SCHEMBL5848555 0.74 GAA (0.43) ALDH1A1GAAMAPTMEN1KMT2A

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-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 US claimed
EP-1254898-A1 BENZENE-FUSED HETEROCYCLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP claimed
US-7008938-B2 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient NOKIA CORPORATION (FI) 2006-03-07 US disclosed
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
US-6809092-B2 1,3,4,5-TETRAHYDRO-2H-2-BENZAZEPIN-2-YL DERIVATIVES; CYSTEINE PROTEASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-26 US disclosed
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 US disclosed
EP-1254898-A1 BENZENE-FUSED HETEROCYCLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 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 (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-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient BACH1, BACE1, CMA1 CHRM2 1890/4885CHRM4 3310/4885CHRM1 2206/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS CHRM2 1842/4885CHRM4 3583/4885CHRM1 3333/4885

“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.