SCHEMBL5044005

SCHEMBL5044005

COc1ccc(Cn2c(-c3csc(C)n3)cc(C(=O)O)c2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CCR2 P41597 2/20 0.43
NOTUM Q6P988 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KLK1 P06870 1/20 0.42
KLKB1 P03952 2/20 0.41
PPARG P37231 2/20 0.41
ECE1 P42892 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCR9 P51686 1/20 0.41
EIF4E P06730 1/20 0.40
ERCC5 P28715 1/20 0.40

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
SCHEMBL5045711 0.90 KDM4E (0.55) NPC1RAB9AKLKB1PPARGKDM4E
SCHEMBL6530788 0.89 LMNA (0.44) LMNAHTTMEN1KMT2ACCR2
SCHEMBL5048561 0.87 PPARD (0.48) MEN1KMT2ACCR2NOTUMNPC1
SCHEMBL6471994 0.86 KDM4E (0.51) MEN1KMT2ACCR2NPC1RAB9A
SCHEMBL6879060 0.86 KDM4E (0.53) MEN1KMT2ANOTUMNPC1RAB9A
SCHEMBL5044175 0.85 EIF4E (0.49) NOTUMNPC1RAB9APPARGKDM4E
SCHEMBL6881059 0.84 EIF4E (0.50) NPC1RAB9AKLKB1PPARGKDM4E
SCHEMBL6884109 0.84 EIF4E (0.57) CCR2NPC1RAB9AKDM4EALDH1A1
SCHEMBL5044780 0.84 KDM4E (0.48) NPC1RAB9AKLKB1KDM4EALDH1A1
SCHEMBL6471925 0.84 KDM4E (0.53) NPC1RAB9AKLKB1KDM4EALDH1A1

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
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R LMNA 4423/4885HTT 2667/4885MEN1 2160/4885

“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.