SCHEMBL5133265

SCHEMBL5133265

CCCCCCN(CC)C(=O)c1cc(-c2csc(C(=O)OCC)n2)n(CC2CCCO2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.39
FEN1 P39748 1/20 0.39
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
CDC25C P30307 1/20 0.36
DUSP3 P51452 1/20 0.36
CNR2 P34972 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL5043782 0.89 CTSK (0.36) ALDH1A1TP53SMN1; SMN2NPC1TDP1
SCHEMBL6069264 0.85 MEN1 (0.37) ALDH1A1TDP1CNR2POLBMEN1
SCHEMBL5045675 0.83 ALDH1A1 (0.42) ALDH1A1TP53TSHRSMN1; SMN2EPHX2
SCHEMBL5039368 0.83 PLA2G4A (0.34) ALDH1A1TP53SMN1; SMN2POLB
SCHEMBL5043763 0.81 ALDH1A1 (0.37) ALDH1A1TSHRTDP1CNR2POLB
SCHEMBL5046957 0.79 ALDH1A1 (0.41) ALDH1A1TP53TSHRSMN1; SMN2EPHX2
SCHEMBL5133261 0.79 ALDH1A1 (0.38) ALDH1A1TP53TSHRSMN1; SMN2EPHX2
SCHEMBL5045678 0.78 ALDH1A1 (0.41) ALDH1A1TP53TSHRSMN1; SMN2EPHX2
SCHEMBL5039350 0.72 HPGD (0.45) ALDH1A1TP53TSHRSMN1; SMN2RAB9A
SCHEMBL5048540 0.69 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2RAB9ANPC1

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 ALDH1A1 959/4885TP53 4443/4885TSHR 98/4885

“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.