SCHEMBL5047738

SCHEMBL5047738

CCc1cc(-c2nc(-c3cc(C(=O)NC(C)CC)c(C)n3CC3CCCCC3)cs2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 7/20 0.42
SREBF1 P36956 1/20 0.42
IDH1 O75874 1/20 0.37
KLK1 P06870 3/20 0.36
KLKB1 P03952 4/20 0.36
MTOR P42345 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR1 P21554 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
SCHEMBL5047645 0.90 SREBF2 (0.42) SREBF2SREBF1IDH1KLK1KLKB1
SCHEMBL5048584 0.89 SREBF2 (0.47) SREBF2SREBF1IDH1ALDH1A1MAPT
SCHEMBL5039865 0.88 SREBF2 (0.43) SREBF2SREBF1KLK1KLKB1ALDH1A1
SCHEMBL5045669 0.86 HTR2A (0.43) SREBF2SREBF1IDH1KLK1KLKB1
SCHEMBL5043728 0.86 SREBF2 (0.41) SREBF2SREBF1KLK1KLKB1MAPT
SCHEMBL5044983 0.85 CDC25A (0.44) IDH1KLK1KLKB1MTORALDH1A1
SCHEMBL5044380 0.85 SREBF2 (0.45) SREBF2SREBF1IDH1KLK1KLKB1
SCHEMBL5040282 0.85 KLKB1 (0.42) IDH1KLK1KLKB1MTORCTSK
SCHEMBL5043862 0.83 CNR1 (0.43) IDH1KLK1ALDH1A1MAPTCNR1
SCHEMBL5039433 0.82 SREBF2 (0.42) SREBF2SREBF1IDH1KLK1KLKB1

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 SREBF2 2076/4885SREBF1 1307/4885IDH1 3182/4885

“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.