SCHEMBL5043694

SCHEMBL5043694

COCCn1c(-c2csc(-c3ccc(C)nc3)n2)cc(C(=O)O)c1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 10/20 0.41
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
TSHR P16473 1/20 0.38
CYP19A1 P11511 1/20 0.37
IDH1 O75874 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PTGER4 P35408 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL5047149 0.94 ALDH1A1 (0.42) EIF4ECPT2CPT1ACPT1BCYP19A1
SCHEMBL5044535 0.87 ALDH1A1 (0.53) EIF4ECYP19A1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5044780 0.84 KDM4E (0.48) EIF4ECYP19A1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5043427 0.83 GSK3B (0.44) EIF4ECPT2CPT1ACPT1BIDH1
SCHEMBL6069332 0.83 SREBF2 (0.49) EIF4EALDH1A1MAPT
SCHEMBL5048683 0.82 KLKB1 (0.44) EIF4ECPT2CPT1ACPT1BTSHR
SCHEMBL5044308 0.81 ALDH1A1 (0.54) EIF4ECYP19A1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5045109 0.81 CPT1A (0.45) EIF4ECPT2CPT1ACPT1BIDH1
SCHEMBL6472099 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5039354 0.79 CDC25A (0.49) EIF4ECPT2CPT1ACPT1BTSHR

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 3 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
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 EIF4E 2174/4885CPT2 739/4885CPT1A 717/4885

“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.