SCHEMBL5043762

SCHEMBL5043762

CCCCC(CC)CNC(=O)c1cc(-c2csc(C(=O)OCC)n2)n(CCCOC)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 3/20 0.39
POLB P06746 3/20 0.39
TP53 P04637 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 3/20 0.37
TSHR P16473 3/20 0.37
GLA P06280 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL5045868 0.95 TSHR (0.39) ALDH1A1HPGDMAPTPOLBTP53
SCHEMBL5039361 0.89 TSHR (0.38) ALDH1A1MAPTPOLBTP53SMN1; SMN2
SCHEMBL5039641 0.88 ALDH1A1 (0.52) ALDH1A1HPGDMAPTPOLBSMN1; SMN2
SCHEMBL5043780 0.85 CTSK (0.40) MAPTTP53SMN1; SMN2HTTTSHR
SCHEMBL5133261 0.83 ALDH1A1 (0.38) ALDH1A1HPGDPOLBTP53SMN1; SMN2
SCHEMBL5043901 0.80 MAPT (0.45) ALDH1A1HPGDMAPTPOLBSMN1; SMN2
SCHEMBL5043763 0.77 ALDH1A1 (0.37) ALDH1A1HPGDMAPTPOLBHTT
SCHEMBL5047164 0.75 POLB (0.49) ALDH1A1HPGDMAPTPOLBTP53
SCHEMBL5046983 0.75 GSK3B (0.41) ALDH1A1HPGDMAPTPOLBSMN1; SMN2
SCHEMBL5043897 0.74 MAPT (0.41) ALDH1A1HPGDMAPTPOLBHTT

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 2000/4885MAPT 3334/4885

“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.