SCHEMBL5039867

SCHEMBL5039867

Cc1c(C(=O)O)cc(-c2csc(-c3ccccc3Cl)n2)n1Cc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 14/20 0.47
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5044425 0.87 RAB9A (0.43) EIF4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5044314 0.87 IDH1 (0.46) EIF4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5044990 0.86 EIF4E (0.46) EIF4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5039474 0.85 NPC1 (0.43) EIF4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5048644 0.83 EIF4E (0.47) EIF4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5044175 0.83 EIF4E (0.49) EIF4ENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6883123 0.83 EIF4E (0.46) EIF4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5043783 0.81 ALDH1A1 (0.50) EIF4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5039349 0.80 SREBF2 (0.48) EIF4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5043491 0.80 EIF4E (0.43) EIF4ENPC1RAB9ASMN1; SMN2LMNA

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 EIF4E 2174/4885NPC1 500/4885RAB9A 1009/4885

“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.