SCHEMBL5048644

SCHEMBL5048644

Cc1c(C(=O)O)cc(-c2csc(-c3ccccc3Cl)n2)n1CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 11/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
IDH1 O75874 1/20 0.44
GNRHR P30968 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GFER P55789 1/20 0.41
DHODH Q02127 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
SCHEMBL5047599 0.88 IDH1 (0.44) EIF4ENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6883123 0.85 EIF4E (0.46) EIF4ENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5046011 0.85 HTR2A (0.48) IDH1LMNA
SCHEMBL5039867 0.83 EIF4E (0.47) EIF4ENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5044990 0.83 EIF4E (0.46) EIF4ENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5043491 0.82 EIF4E (0.43) EIF4ENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5044175 0.82 EIF4E (0.49) EIF4ENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5048580 0.82 CHRM1 (0.44) EIF4ENPC1RAB9AIDH1KMT2A
SCHEMBL5048548 0.80 CDC25A (0.46) EIF4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5043717 0.79 KDM4E (0.53) EIF4ENPC1RAB9ASMN1; SMN2KDM4E

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.