SCHEMBL5043726

SCHEMBL5043726

COc1ccc(CCn2c(-c3csc(C)n3)cc(C(=O)O)c2C)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 2/20 0.53
ECE1 P42892 2/20 0.45
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 3/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL5043612 0.85 PPARD (0.47) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL5047117 0.83 SREBF2 (0.43) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL5044005 0.80 LMNA (0.46) SMN1; SMN2ALDH1A1LMNAHTTECE1
SCHEMBL6534119 0.79 TDP1 (0.46) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL5046935 0.78 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL6883083 0.77 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPTECE1KDM4E
SCHEMBL6881143 0.76 KDM4E (0.50) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E
SCHEMBL5043835 0.76 PPARD (0.47) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL6879680 0.75 KDM4E (0.51) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E
SCHEMBL5047164 0.75 POLB (0.49) SMN1; SMN2ALDH1A1LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
CN-100360527-C CB 1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2008-01-09 CN disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
CN-1735611-A CB 1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2006-02-15 CN disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US 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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R SMN1; SMN2 3330/4885ALDH1A1 959/4885LMNA 4423/4885

“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.