SCHEMBL5047149

SCHEMBL5047149

COCCCn1c(-c2csc(-c3ccc(C)nc3)n2)cc(C(=O)O)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
EIF4E P06730 8/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CRHBP P24387 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TRPV4 Q9HBA0 2/20 0.39
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
CPT1B Q92523 1/20 0.38
HPGDS O60760 1/20 0.38
IDH1 O75874 1/20 0.36
CYP19A1 P11511 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL5043694 0.94 EIF4E (0.41) ALDH1A1EIF4EMAPTCPT2CPT1A
SCHEMBL5044308 0.87 ALDH1A1 (0.54) ALDH1A1HPGDEIF4EMAPTMEN1
SCHEMBL5043885 0.84 SREBF2 (0.48) ALDH1A1HPGDEIF4EMAPTTRPV4
SCHEMBL5044780 0.83 KDM4E (0.48) ALDH1A1HPGDEIF4EMAPTCYP19A1
SCHEMBL5044289 0.83 KLKB1 (0.42) ALDH1A1HPGDEIF4EMAPTMEN1
SCHEMBL5046935 0.81 ALDH1A1 (0.44) ALDH1A1HPGDMAPTMEN1LMNA
SCHEMBL5044535 0.81 ALDH1A1 (0.53) ALDH1A1HPGDEIF4EMAPTMEN1
SCHEMBL5045109 0.79 CPT1A (0.45) EIF4ECPT2CPT1ACPT1BIDH1
SCHEMBL5043697 0.79 IDH1 (0.45) ALDH1A1HPGDMEN1KMT2AIDH1
SCHEMBL5043427 0.79 GSK3B (0.44) ALDH1A1HPGDEIF4EMAPTMEN1

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 ALDH1A1 959/4885HPGD 2000/4885EIF4E 2174/4885

“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.