SCHEMBL5046957

SCHEMBL5046957

CCOC(=O)c1nc(-c2cc(C(=O)NCC(C)C)c(C)n2CC2CCCO2)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 1/20 0.40
FEN1 P39748 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
HPGD P15428 3/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL5133261 0.90 ALDH1A1 (0.38) ALDH1A1TSHRTP53SMN1; SMN2RAB9A
SCHEMBL5045678 0.89 ALDH1A1 (0.41) ALDH1A1TSHRTP53SMN1; SMN2RAB9A
SCHEMBL5039350 0.88 HPGD (0.45) ALDH1A1TSHRTP53SMN1; SMN2RAB9A
SCHEMBL5045675 0.82 ALDH1A1 (0.42) ALDH1A1TSHRTP53SMN1; SMN2RAB9A
SCHEMBL5039512 0.81 CDC25A (0.61) ALDH1A1TSHRSMN1; SMN2RAB9ANPC1
SCHEMBL5047650 0.80 KLKB1 (0.45) ALDH1A1TSHRTP53SMN1; SMN2RAB9A
SCHEMBL5046842 0.80 TNK2 (0.43) ALDH1A1TSHRTP53SMN1; SMN2RAB9A
SCHEMBL5043924 0.80 CDC25A (0.46) ALDH1A1TSHRSMN1; SMN2RAB9ANPC1
SCHEMBL5047884 0.80 CDC25A (0.45) ALDH1A1TSHRTP53SMN1; SMN2RAB9A
SCHEMBL5048540 0.80 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 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 959/4885TSHR 98/4885TP53 4443/4885

“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.