SCHEMBL5848702

SCHEMBL5848702

CC(C)C[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)C(=O)CN1CCCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 10/20 0.50
CTSK P43235 3/20 0.49
CTSL P07711 2/20 0.48
CTSS P25774 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
ESR2 Q92731 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
SMPD1 P17405 2/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL5850493 0.91 CTSS (0.50) CTSKCTSLCTSSKMT2AMAPT
SCHEMBL5848654 0.86 CTSL (0.52) CTSKCTSLCTSSALDH1A1GAA
SCHEMBL5848770 0.85 GPR132 (0.51) GPR132CTSKALDH1A1GAATSHR
SCHEMBL5848336 0.84 CTSK (0.47) CTSKALDH1A1GAAKMT2AMEN1
SCHEMBL5850047 0.79 CTSK (0.53) CTSKCTSLCTSSCAPN1
SCHEMBL5848748 0.79 ALDH1A1 (0.48) GPR132CTSKALDH1A1GAATSHR
SCHEMBL4867898 0.77 GPR132 (0.54) GPR132CTSKALDH1A1TSHRKMT2A
SCHEMBL5850375 0.77 CARM1 (0.48) CTSKCTSLCTSSALDH1A1GAA
SCHEMBL5850031 0.75 POLB (0.50) CTSKCTSLCTSSKMT2AMEN1
SCHEMBL5850357 0.75 CHRM2 (0.45) CTSKCTSLALDH1A1GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7008938-B2 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient NOKIA CORPORATION (FI) 2006-03-07 US claimed
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US claimed
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 GPR132 831/4885CTSK 344/4885CTSL 1570/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS GPR132 789/4885CTSK 161/4885CTSL 1068/4885

“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.