SCHEMBL5032563

SCHEMBL5032563

COc1ccc(N(C(=O)c2ccccc2Cl)c2nc(C(=O)O)cs2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
PTGS2 P35354 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
POLB P06746 1/20 0.38
RAF1 P04049 1/20 0.37
MAP2K1 Q02750 1/20 0.37
ECE1 P42892 1/20 0.36
LMNA P02545 2/20 0.36
PTGER1 P34995 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36
GRM4 Q14833 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5032680 0.89 CES2 (0.41) ALDH1A1CES2CES1KDM4ESMN1; SMN2
SCHEMBL5032527 0.89 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL5032520 0.89 LMNA (0.47) ALDH1A1KDM4ESMN1; SMN2POLBLMNA
SCHEMBL5032679 0.88 LMNA (0.47) ALDH1A1CES2CES1KDM4ESMN1; SMN2
SCHEMBL5035133 0.86 HPGD (0.47) ALDH1A1KDM4ESMN1; SMN2POLBLMNA
SCHEMBL5032534 0.86 NPC1 (0.44) ALDH1A1CES2CES1SMN1; SMN2POLB
SCHEMBL5032672 0.86 TLR7 (0.40) CES2CES1KDM4ESMN1; SMN2PTGS2
SCHEMBL27643379 0.85 ALDH1A1 (0.42) ALDH1A1CES2CES1KDM4ESMN1; SMN2
SCHEMBL27664673 0.85 NPC1 (0.41) ALDH1A1CES2CES1KDM4ESMN1; SMN2
SCHEMBL5035149 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTHPGD

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
CN-100509808-C Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
CN-1890236-A Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2007-01-03 CN disclosed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP disclosed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US disclosed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 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 (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-20050153962-A1 Thiazole derivatives CNR1, CNR2, GPR119 ALDH1A1 473/4885CES2 105/4885CES1 118/4885

“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.